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  1. CompTox Ontology: Leveraging Knowledge Graphs for PFAS Monitoring and Decision-Making

    Article • April 2026, ACM (Association for Computing Machinery)

    Dr Antony John Williams, Hande Kucuk McGinty, vasu kilaru

  2. Identification of pesticides and their transformation products in surface water and groundwater surrounding a closed bioethanol production facility using non-targeted analysis

    Article • Environmental Pollution, October 2025, Elsevier

    Dr Antony John Williams

  3. Correction to: Examining the effects of analytical replication on data quality in a non‑targeted analysis experiment

    Article • Analytical and Bioanalytical Chemistry, September 2025, Springer Science + Business Media

    Dr Antony John Williams

  4. Physicochemical Property Models for Poly- and Perfluorinated Alkyl Substances and Other Chemical Classes

    Article • Journal of Chemical Information and Modeling, September 2025, American Chemical Society (ACS)

    Dr Antony John Williams

  5. Development of the toxicity values database, ToxValDB: A curated resource for experimental and derived human health-relevant toxicity data

    Article • Computational Toxicology, September 2025, Elsevier

    Dr Antony John Williams

  6. Quaternary ammonium compounds: a standardized nomenclature approach to enhance understanding of an understudied class of compounds

    Article • Integrated Environmental Assessment and Management, August 2025, Oxford University Press (OUP)

    Dr Antony John Williams

  7. Curating and Visualizing the Analytical Methods and the Open Spectral Database’s Chemical Functional Use Taxonomy

    Article • Journal of Chemical Information and Modeling, August 2025, American Chemical Society (ACS)

    Dr Antony John Williams

  8. Reference library for suspect screening of environmental toxicants using ion mobility spectrometry-mass spectrometry

    Article • Communications Chemistry, August 2025, Springer Science + Business Media

    Dr Antony John Williams

  9. Nontargeted Analysis of Surface and Groundwaters Impacted by Historic PFAS Waste Sites

    Article • Environmental Science & Technology, June 2025, American Chemical Society (ACS)

    Dr Antony John Williams

  10. Examining the effects of analytical replication on data quality in a non-targeted analysis experiment

    Article • Analytical and Bioanalytical Chemistry, June 2025, Springer Science + Business Media

    Dr Antony John Williams

  11. Examining structure-based surrogate selection for quantitative non-targeted analysis

    Article • Analytical and Bioanalytical Chemistry, June 2025, Springer Science + Business Media

    Dr Antony John Williams

  12. Combined In Vitro and In Silico Workflow to Deliver Robust, Transparent, and Contextually Rigorous Models of Bioactivity

    Article • Journal of Chemical Information and Modeling, April 2025, American Chemical Society (ACS)

    Dr Antony John Williams

  13. Multilaboratory Study of a Nontarget Data Acquisition for Target Analysis (nDATA) Workflow Using Ultrahigh-Performance Liquid Chromatography-High-Resolution Mass Spectrometry for the Screening of 1087 Pesticides in Fresh Fruits and Vegetables

    Article • Journal of Agricultural and Food Chemistry, March 2025, American Chemical Society (ACS)

    Dr Antony John Williams

  14. Abstract Sifter version 8: Focus on the chemical literature

    Article • F1000Research, March 2025, Faculty of 1000, Ltd.

    Dr Antony John Williams

  15. Developing Chemical Signatures for Categories of Household Consumer Products Using Suspect Screening Analysis

    Article • Environmental Science & Technology, January 2025, American Chemical Society (ACS)

    Dr Antony John Williams, Dr John Fredrick Wambaugh

  16. NIST Mass Spectral Libraries in the Context of the Circular Economy of Plastics

    Article • Journal of the American Society for Mass Spectrometry, January 2025, American Chemical Society (ACS)

    Dr Antony John Williams

  17. Expanding PFAS Identification with Transformation Product Libraries: Nontargeted Analysis Reveals Biotransformation Products in Mice

    Article • Environmental Science & Technology, December 2024, American Chemical Society (ACS)

    Dr Antony John Williams

  18. A Cheminformatics Workflow to Select Representative TSCA Chemicals for New Approach Methodology (NAM) Screening

    Article • Chemical Research in Toxicology, December 2024, American Chemical Society (ACS)

    Dr Antony John Williams

  19. Effects of Pyrolysis Temperature on the Photooxidation of Water-Soluble Fraction of Wheat Straw Biochar Characterized by 21 T FT-ICR Mass Spectrometry

    Article • Soil & Environmental Health, October 2024, Elsevier

    Dr Antony John Williams

  20. Combining Nontargeted Analysis with Computer-Based Hazard Comparison Approaches to Support Prioritization of Unregulated Organic Contaminants in Biosolids

    Article • Environmental Science & Technology, June 2024, American Chemical Society (ACS)

    Dr Antony John Williams

  21. Where the rubber meets the road: Emerging environmental impacts of tire wear particles and their chemical cocktails

    Article • The Science of The Total Environment, June 2024, Elsevier

    Dr Antony John Williams

  22. MetSim: Integrated Programmatic Access and Pathway Management for Xenobiotic Metabolism Simulators

    Article • Chemical Research in Toxicology, April 2024, American Chemical Society (ACS)

    Dr Antony John Williams

  23. Improving predictions of compound amenability for liquid chromatography–mass spectrometry to enhance non-targeted analysis

    Article • Analytical and Bioanalytical Chemistry, March 2024, Springer Science + Business Media

    Dr Antony John Williams

  24. Translating nanoEHS data using EPA NaKnowBase and the resource description framework

    Article • F1000Research, March 2024, Faculty of 1000, Ltd.

    Dr Antony John Williams

  25. Online and Offline Prioritization of Chemicals of Interest in Suspect Screening and Non-targeted Screening with High-Resolution Mass Spectrometry

    Article • Analytical Chemistry, February 2024, American Chemical Society (ACS)

    Dr Antony John Williams

  26. (Non)targeted Chemical Analysis and Risk Assessment of Organic Contaminants in Darkibor Kale Grown at Rural and Urban Farms

    Article • Environmental Science & Technology, February 2024, American Chemical Society (ACS)

    Dr Antony John Williams

  27. Expanded Systematic Evidence Map for Hundreds of Per- and Polyfluoroalkyl Substances (PFAS) and Comprehensive PFAS Human Health Dashboard

    Article • Environmental Health Perspectives, February 2024, Environmental Health Perspectives

    Dr Antony John Williams

  28. ELIXIR and Toxicology: a community in development

    Article • F1000Research, October 2023, Faculty of 1000, Ltd.

    Dr Antony John Williams, Dr John M Hancock, Prof. Iseult Lynch, Professor Nikolaos S. Thomaidis, Professor Chris Evelo

  29. Polanyi adsorption potential theory for estimating PFAS treatment with granular activated carbon

    Article • Journal of Water Process Engineering, July 2023, Elsevier

    Dr Antony John Williams

  30. Transparency in Modeling through Careful Application of OECD’s QSAR/QSPR Principles via a Curated Water Solubility Data Set

    Article • Chemical Research in Toxicology, March 2023, American Chemical Society (ACS)

    Dr Antony John Williams

  31. Demonstrating the Use of Non-targeted Analysis for Identification of Unknown Chemicals in Rapid Response Scenarios

    Article • Environmental Science & Technology, February 2023, American Chemical Society (ACS)

    Dr Antony John Williams

  32. A proposed approach to defining per‐ and polyfluoroalkyl substances (PFAS) based on molecular structure and formula

    Article • Integrated Environmental Assessment and Management, February 2023, Wiley

    Dr Antony John Williams

  33. Development of a CSRML version of the Analog identification Methodology (AIM) fragments and their evaluation within the Generalised Read-Across (GenRA) approach

    Article • Computational Toxicology, February 2023, Elsevier

    Dr Antony John Williams

  34. The use of new approach methodologies for the environmental risk assessment of food and feed chemicals

    Article • Current Opinion in Environmental Science & Health, February 2023, Elsevier

    Dr Antony John Williams

  35. Exploring chemical space in non-targeted analysis: a proposed ChemSpace tool

    Article • Analytical and Bioanalytical Chemistry, November 2022, Springer Science + Business Media

    Dr Antony John Williams

  36. Towards reproducible structure-based chemical categories for PFAS to inform and evaluate toxicity and toxicokinetic testing

    Article • Computational Toxicology, November 2022, Elsevier

    Dr Antony John Williams

  37. Systematic evidence map (SEM) template: Report format and methods used for the US EPA Integrated Risk Information System (IRIS) program, Provisional Peer Reviewed Toxicity Value (PPRTV) program, and other “fit for purpose” literature-based human health...

    Article • Environment International, November 2022, Elsevier

    Dr Antony John Williams

  38. The chemical landscape of high-throughput new approach methodologies for exposure

    Article • Journal of Exposure Science & Environmental Epidemiology, November 2022, Springer Science + Business Media

    Dr Antony John Williams, Dr John Fredrick Wambaugh

  39. The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

    Article • Environmental Sciences Europe, October 2022, Springer Science + Business Media

    Dr Antony John Williams

  40. Wikipedia on the CompTox Chemicals Dashboard: Connecting Resources to Enrich Public Chemical Data

    Article • Journal of Chemical Information and Modeling, October 2022, American Chemical Society (ACS)

    Dr Antony John Williams

  41. A regression-based QSAR-model to predict acute toxicity of aromatic chemicals in tadpoles of the Japanese brown frog (Rana japonica): Calibration, validation, and future developments to support risk assessment of chemicals in amphibians

    Article • The Science of The Total Environment, July 2022, Elsevier

    Dr Antony John Williams

  42. A harmonized chemical monitoring database for support of exposure assessments

    Article • Scientific Data, June 2022, Springer Science + Business Media

    Dr Antony John Williams

  43. Uncertainty estimation strategies for quantitative non-targeted analysis

    Article • Analytical and Bioanalytical Chemistry, June 2022, Springer Science + Business Media

    Dr Antony John Williams

  44. Development of a Flame Retardant and an Organohalogen Flame Retardant Chemical Inventory

    Article • Scientific Data, June 2022, Springer Science + Business Media

    Dr Antony John Williams

  45. Integrative Exposomic, Transcriptomic, Epigenomic Analyses of Human Placental Samples Links Understudied Chemicals to Preeclampsia

    Article • Environment International, June 2022, Elsevier

    Dr Antony John Williams

  46. CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community

    Article • Journal of Chemical Information and Modeling, May 2022, American Chemical Society (ACS)

    Dr Antony John Williams, Dr Stuart J Chalk

  47. Systematic Evidence Map for Over One Hundred and Fifty Per- and Polyfluoroalkyl Substances (PFAS)

    Article • Environmental Health Perspectives, May 2022, Environmental Health Perspectives

    Dr Antony John Williams, Dr Richard S Judson

  48. Curation of a list of chemicals in biosolids from EPA National Sewage Sludge Surveys & Biennial Review Reports

    Article • Scientific Data, April 2022, Springer Science + Business Media

    Dr Antony John Williams

  49. Assembly and Curation of Lists of Per- and Polyfluoroalkyl Substances (PFAS) to Support Environmental Science Research

    Article • Frontiers in Environmental Science, April 2022, Frontiers

    Dr Antony John Williams

  50. Identification of Branched and Linear Forms of PFOA and Potential Precursors: A User-Friendly SMILES Structure-based Approach

    Article • Frontiers in Environmental Science, March 2022, Frontiers

    Dr Antony John Williams

  51. Predicting molecular initiating events using chemical target annotations and gene expression

    Article • BioData Mining, March 2022, Springer Science + Business Media

    Dr Antony John Williams

  52. Assessing the External Exposome Using Wearable Passive Samplers and High-Resolution Mass Spectrometry among South African Children Participating in the VHEMBE Study

    Article • Environmental Science & Technology, January 2022, American Chemical Society (ACS)

    Dr Antony John Williams

  53. In Silico Methods for Environmental Risk Assessment: Principles, Tiered Approaches, Applications, and Future Perspectives

    Article • January 2022, Springer Science + Business Media

    Dr Antony John Williams

  54. An Introduction to the Benchmarking and Publications for Non-Targeted Analysis Working Group

    Article • Analytical Chemistry, November 2021, American Chemical Society (ACS)

    Dr Antony John Williams

  55. A Framework for Utilizing High‐Resolution Mass Spectrometry and Nontargeted Analysis in Rapid Response and Emergency Situations

    Article • Environmental Toxicology and Chemistry, November 2021, Wiley

    Dr Antony John Williams

  56. ELIXIR and Toxicology: a community in development

    Article • F1000Research, November 2021, Faculty of 1000, Ltd.

    Dr Antony John Williams, Dr John M Hancock, Prof. Iseult Lynch

  57. ACD/Structure Elucidator: 20 Years in the History of Development

    Article • Molecules, November 2021, MDPI AG

    Dr Antony John Williams

  58. Predicting compound amenability with liquid chromatography-mass spectrometry to improve non-targeted analysis

    Article • Analytical and Bioanalytical Chemistry, October 2021, Springer Science + Business Media

    Dr Antony John Williams, Dr John Fredrick Wambaugh

  59. Progress towards an OECD reporting framework for transcriptomics and metabolomics in regulatory toxicology

    Article • Regulatory Toxicology and Pharmacology, October 2021, Elsevier

    Dr Antony John Williams, Dr Lyle Burgoon

  60. Sourcing data on chemical properties and hazard data from the US-EPA CompTox Chemicals Dashboard: A practical guide for human risk assessment

    Article • Environment International, September 2021, Elsevier

    Dr Antony John Williams

  61. Assessing the external exposome of South African children using wearable passive samplers and high-resolution mass spectrometry

    Article • August 2021, Research Square

    Dr Antony John Williams

  62. 50 chemical exposures of concern discovered using wearable passive samplers and gas chromatography high-resolution mass spectrometry in South African children

    Article • ISEE Conference Abstracts, August 2021, Environmental Health Perspectives

    Dr Antony John Williams

  63. FluoroMatch: A Comprehensive Software for Non-Targeted PFAS Analysis

    Article • ISEE Conference Abstracts, August 2021, Environmental Health Perspectives

    Dr Antony John Williams

  64. Personal External Exposomes from Around the World

    Article • ISEE Conference Abstracts, August 2021, Environmental Health Perspectives

    Dr Antony John Williams

  65. Development and Application of Liquid Chromatographic Retention Time Indices in HRMS-Based Suspect and Nontarget Screening

    Article • Analytical Chemistry, August 2021, American Chemical Society (ACS)

    Dr Antony John Williams, Professor Nikolaos S. Thomaidis

  66. Chemical Characterization of Recycled Consumer Products Using Suspect Screening Analysis

    Article • Environmental Science & Technology, August 2021, American Chemical Society (ACS)

    Dr Antony John Williams, Dr John Fredrick Wambaugh

  67. The 2021 update of the EPA’s adverse outcome pathway database

    Article • Scientific Data, July 2021, Springer Science + Business Media

    Dr Antony John Williams

  68. FluoroMatch 2.0—making automated and comprehensive non-targeted PFAS annotation a reality

    Article • Analytical and Bioanalytical Chemistry, May 2021, Springer Science + Business Media

    Dr Antony John Williams

  69. Bioactivity Profiling of Per- and Polyfluoroalkyl Substances (PFAS) Identifies Potential Toxicity Pathways Related to Molecular Structure

    Article • Toxicology, April 2021, Elsevier

    Dr Antony John Williams

  70. Using the US EPA CompTox Chemicals Dashboard to interpret targeted and non-targeted GC–MS analyses from human breath and other biological media

    Article • Journal of Breath Research, March 2021, Institute of Physics Publishing

    Dr Antony John Williams

  71. Enabling High-Throughput Searches for Multiple Chemical Data Using the U.S.-EPA CompTox Chemicals Dashboard

    Article • Journal of Chemical Information and Modeling, January 2021, American Chemical Society (ACS)

    Dr Antony John Williams

  72. The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology

    Article • Chemical Research in Toxicology, November 2020, American Chemical Society (ACS)

    Dr Antony John Williams

  73. Revisiting Five Years of CASMI Contests with EPA Identification Tools

    Article • Metabolites, June 2020, MDPI AG

    Dr Antony John Williams

  74. Repurposing Quaternary Ammonium Compounds as Potential Treatments for COVID-19

    Article • Pharmaceutical Research, May 2020, Springer Science + Business Media

    Dr Antony John Williams

  75. Repurposing Quaternary Ammonium Compounds as Potential Treatments for COVID-19

    Article • April 2020, Center for Open Science

    Dr Antony John Williams

  76. CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

    Article • Environmental Health Perspectives, February 2020, Environmental Health Perspectives

    Dr Antony John Williams, Assoc. Prof. Alfonso T. Garcia-Sosa

  77. In silico MS/MS spectra for identifying unknowns: a critical examination using CFM-ID algorithms and ENTACT mixture samples

    Article • Analytical and Bioanalytical Chemistry, January 2020, Springer Science + Business Media

    Dr Antony John Williams

  78. Applications of the US EPA CompTox Chemicals Dashboard to support mass spectrometry and breath research

    Article • January 2020, Elsevier

    Dr Antony John Williams

  79. EPA’s DSSTox database: History of development of a curated chemistry resource supporting computational toxicology research

    Article • Computational Toxicology, November 2019, Elsevier

    Dr Antony John Williams

  80. Open-source QSAR models for pKa prediction using multiple machine learning approaches

    Article • Journal of Cheminformatics, September 2019, Springer Science + Business Media

    Dr Antony John Williams

  81. Centralized resource for chemicals from the human volatilome in an interactive open-sourced database

    Article • Journal of Breath Research, August 2019, Institute of Physics Publishing

    Dr Antony John Williams

  82. Linking in silico MS/MS spectra with chemistry data to improve identification of unknowns

    Article • Scientific Data, August 2019, Springer Science + Business Media

    Dr Antony John Williams

  83. Supporting non-target identification by adding hydrogen deuterium exchange MS/MS capabilities to MetFrag

    Article • Analytical and Bioanalytical Chemistry, June 2019, Springer Science + Business Media

    Dr Antony John Williams

  84. The next generation blueprint of computational toxicology at the U.S. Environmental Protection Agency

    Article • Toxicological Sciences, March 2019, Oxford University Press (OUP)

    Dr Antony John Williams, Dr John Fredrick Wambaugh

  85. Using prepared mixtures of ToxCast chemicals to evaluate non-targeted analysis (NTA) method performance

    Article • Analytical and Bioanalytical Chemistry, January 2019, Springer Science + Business Media

    Andrew D McEachran, Dr Antony John Williams

  86. Construction of a per- and polyfluoroalkyl substances (PFAS) screening library

    Article • Environmental Health Perspectives, January 2019, Environmental Health Perspectives

    Dr Antony John Williams, Ronald N. Hines

  87. Connecting environmental exposure and neurodegeneration using cheminformatics and high resolution mass spectrometry: potential and challenges

    Article • Environmental Science Processes & Impacts, January 2019, Royal Society of Chemistry

    Dr Antony John Williams

  88. Generalized Read-Across (GenRA): A workflow implemented into the EPA CompTox Chemicals Dashboard

    Article • ALTEX, January 2019, ALTEX Edition

    Dr Antony John Williams

  89. EPA’s non-targeted analysis collaborative trial (ENTACT): genesis, design, and initial findings

    Article • Analytical and Bioanalytical Chemistry, December 2018, Springer Science + Business Media

    Dr Antony John Williams

  90. An ecotoxicological view on neurotoxicity assessment

    Article • Environmental Sciences Europe, December 2018, Springer Science + Business Media

    Dr Antony John Williams

  91. Evidence for Cross Species Extrapolation of Mammalian-Based High-Throughput Screening Assay Results

    Article • Environmental Science & Technology, October 2018, American Chemical Society (ACS)

    Dr Antony John Williams

  92. A Qualitative Modeling Approach for Whole Genome Prediction Using High-Throughput Toxicogenomics Data and Pathway-Based Validation

    Article • Frontiers in Pharmacology, October 2018, Frontiers

    Dr Antony John Williams

  93. Free access platforms for integrating environmental chemical exposure and hazard information

    Article • Toxicology Letters, October 2018, Elsevier

    Dr Antony John Williams

  94. The U.S. EPA Activities and Information Systems Used for Chemical Exposure Screening, Modelling and Prioritisation and Risk-Based Decision Making: Needs, Challenges and Opportunities for Data Sharing and Interoperability of Tools on Global Scale Includ...

    Article • ISEE Conference Abstracts, September 2018, Environmental Health Perspectives

    Dr Antony John Williams

  95. Rapid experimental measurements of physicochemical properties to inform models and testing

    Article • The Science of The Total Environment, September 2018, Elsevier

    Dr Antony John Williams, Dr kamel mansouri, Dr John Fredrick Wambaugh

  96. “MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies

    Article • Journal of Cheminformatics, August 2018, Springer Science + Business Media

    Andrew D McEachran, Dr Antony John Williams

  97. The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products

    Article • Scientific Data, July 2018, Springer Science + Business Media

    Dr Antony John Williams

  98. Advances on a Decision Analytic Approach to Exposure‐Based Chemical Prioritization

    Article • Risk Analysis, May 2018, Wiley

    Dr Antony John Williams

  99. NMReDATA, a standard to report the NMR assignment and parameters of organic compounds

    Article • Magnetic Resonance in Chemistry, April 2018, Wiley

    Dr Antony John Williams

  100. Evaluating opportunities for advancing the use of alternative methods in risk assessment through the development of fit-for-purpose in vitro assays

    Article • Toxicology in Vitro, April 2018, Elsevier

    Dr kamel mansouri, Dr Antony John Williams

  101. OPERA models for predicting physicochemical properties and environmental fate endpoints

    Article • Journal of Cheminformatics, March 2018, Springer Science + Business Media

    Dr kamel mansouri, Dr Antony John Williams

  102. Suspect screening and non-targeted analysis of drinking water using point-of-use filters

    Article • Environmental Pollution, March 2018, Elsevier

    Dr Antony John Williams, Andrew D McEachran, Dr Seth R Newton, Dr kamel mansouri

  103. A review using PubMed of drug repurposing

    Article • Drug Discovery Today, March 2018, Elsevier

    Dr Antony John Williams, Dr Sean Ekins

  104. Suspect Screening Analysis of Chemicals in Consumer Products

    Article • Environmental Science & Technology, February 2018, American Chemical Society (ACS)

    Andrew D McEachran, Dr John Fredrick Wambaugh, Dr Antony John Williams

  105. High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling

    Article • The Science of The Total Environment, February 2018, Elsevier

    Dr John Fredrick Wambaugh, Dr kamel mansouri, Dr Antony John Williams

  106. Computational Tools for ADMET Profiling

    Article • January 2018, Wiley

    Dr John Fredrick Wambaugh, Dr Antony John Williams

  107. Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 1. Database Development and Analysis

    Article • ACS Sustainable Chemistry & Engineering, January 2018, American Chemical Society (ACS)

    Dr Antony John Williams

  108. A Comparison of Three Liquid Chromatography (LC) Retention Time Prediction Models

    Article • Talanta, January 2018, Elsevier

    Andrew D McEachran, Dr Antony John Williams

  109. Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA

    Article • Journal of Exposure Science & Environmental Epidemiology, December 2017, Nature

    Andrew D McEachran, Dr John Fredrick Wambaugh, Dr Antony John Williams

  110. The PubMed Abstract Sifter - An Integrated Microsoft Excel-PubMed Desktop Application

    Article • F1000Research, December 2017, Faculty of 1000, Ltd.

    Dr Antony John Williams, Thomas Knudsen

  111. The CompTox Chemistry Dashboard: a community data resource for environmental chemistry

    Article • Journal of Cheminformatics, November 2017, Springer Science + Business Media

    Dr Antony John Williams, Andrew D McEachran, Dr John Fredrick Wambaugh, Dr kamel mansouri

  112. Predicting in vivo effect levels for repeat-dose systemic toxicity using chemical, biological, kinetic and study covariates

    Article • Archives of Toxicology, October 2017, Springer Science + Business Media

    Dr kamel mansouri, Dr Antony John Williams

  113. Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals

    Article • Journal of Chemical Information and Modeling, October 2017, American Chemical Society (ACS)

    Dr kamel mansouri, Dr Antony John Williams

  114. Exposome-Scale Investigations Guided by Global Metabolomics, Pathway Analysis, and Cognitive Computing

    Article • Analytical Chemistry, September 2017, American Chemical Society (ACS)

    Dr Antony John Williams

  115. Online networking, data sharing and research activity distribution tools for scientists

    Article • F1000Research, August 2017, Faculty of 1000, Ltd.

    Dr Antony John Williams, Dr Sean Ekins, Lou Peck

  116. Predicting organ toxicity using in vitro bioactivity data and chemical structure

    Article • Chemical Research in Toxicology, August 2017, American Chemical Society (ACS)

    Dr Antony John Williams

  117. Exposing the Exposome with Global Metabolomics and Cognitive Computing

    Article • June 2017, Cold Spring Harbor Laboratory Press

    Dr Antony John Williams

  118. The Future of Chemical Information Is Now

    Article • Chemistry International, May 2017, De Gruyter

    Dr Antony John Williams

  119. Open data sharing can contribute to the identification of chemicals in the environment

    Article • Environmental Science & Technology, May 2017, American Chemical Society (ACS)

    Dr Antony John Williams

  120. Lab information Management Systems for Analytical Laboratories

    Article • January 2017, Elsevier

    Dr Antony John Williams

  121. Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis

    Article • Chemical Science, January 2017, Royal Society of Chemistry

    Dr Antony John Williams

  122. Machine Learning Approaches to Predict PhysChem Properties of Environmental Chemicals

    Article • Journal of Chemical Information and Modeling, December 2016, American Chemical Society (ACS)

    Dr Antony John Williams, Dr Nicole Kleinstreuer, Dr kamel mansouri

  123. Using the EPA CompTox Chemistry Dashboard to Assist in Identifying Chemicals in the Environment

    Article • Analytical and Bioanalytical Chemistry, December 2016, Springer Science + Business Media

    Dr Antony John Williams, Andrew D McEachran

  124. Open Data, Open Database and Open Source Code for 3D Printable Chemical Crystal Structures

    Article • Journal of Cheminformatics, November 2016, Springer Science + Business Media

    Dr Antony John Williams, Prof. Jason E Bara

  125. Does automated curation and data standardization contribute to improved QSAR Models?

    Article • SAR and QSAR in Environmental Research, November 2016, Taylor & Francis

    Dr Antony John Williams

  126. Prediction of Estrogenic Bioactivity of Environmental Chemical Metabolites

    Article • Chemical Research in Toxicology, September 2016, American Chemical Society (ACS)

    Dr Kamel Mansouri, Dr kamel mansouri, Dr Antony John Williams

  127. Green chemistry mobile apps

    Article • September 2016, Wiley

    Dr Antony John Williams, Dr Sean Ekins

  128. What is the relationship between academia and industry in terms of how professors should operate?

    Article • Chem, August 2016, Elsevier

    Dr Antony John Williams

  129. ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology

    Article • Chemical Research in Toxicology, July 2016, American Chemical Society (ACS)

    Dr Antony John Williams, Dr John Fredrick Wambaugh, Dr kamel mansouri, Jayaram Kancherla

  130. Some introductory guidance regarding big data and its introduction into chemical education

    Article • Journal of Chemical Education, March 2016, American Chemical Society (ACS)

    Dr Antony John Williams

  131. Using mass spectrometry and reference databases to identify chemicals in house dust

    Article • Environment International, March 2016, Elsevier

    Dr Antony John Williams, Dr John Fredrick Wambaugh

  132. CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

    Article • Environmental Health Perspectives, February 2016, Environmental Health Perspectives

    Dr kamel mansouri, Honorary Professor Roberto Todeschini, Jayaram Kancherla, Dr Antony John Williams

  133. Can Open Drug Discovery efforts contribute to a cure for the Zika Virus?

    Article • F1000Research, February 2016, Faculty of 1000, Ltd.

    Dr Antony John Williams, Dr Sean Ekins, Dr Carolina Horta Andrade, Megan Coffee

  134. ChemInform Abstract: Turning Spiroketals Inside Out: A Rearrangement Triggered by an Enol Ether Epoxidation.

    Article • ChemInform, February 2016, Wiley

    Gary Martin, Dr Antony John Williams

  135. How Kudos can help you increase readership and broaden the context of your work

    Article • INFORM International News on Fats Oils and Related Materials, February 2016, American Oil Chemists Society

    Charlie Rapple (Kudos), Dr Antony John Williams

  136. Extracting and Modeling a Large Melting Point Dataset (300k) from a Patent Collection

    Article • Journal of Cheminformatics, January 2016, Springer Science + Business Media

    Dr Antony John Williams

  137. In Silico Study of In Vitro GPCR Assays by QSAR Modeling

    Article • January 2016, Springer Science + Business Media

    Dr Kamel Mansouri, Dr kamel mansouri, Dr Antony John Williams

  138. High Throughput Screening Methods

    Article • January 2016, Royal Society of Chemistry

    Dr Antony John Williams

  139. Small molecule bioactivity databases

    Article • January 2016, Royal Society of Chemistry

    Dr Sean Ekins, Dr Antony John Williams

  140. Chapter 3. Nuclear Magnetic Resonance Experiments Applicable to the Elucidation and Characterization of Nitrogenous Natural Products: 1H–15N Heteronuclear Shift Correlation Methods

    Article • January 2016, Royal Society of Chemistry

    Dr Antony John Williams

  141. Chapter 14. Increasing the Adoption of Advanced Techniques for the Structure Elucidation of Natural Products

    Article • January 2016, Royal Society of Chemistry

    Dr Antony John Williams

  142. Ambiguity of non-systematic chemical identifiers within and between small-molecule databases

    Article • Journal of Cheminformatics, November 2015, Springer Science + Business Media

    Dr Antony John Williams

  143. Spiroketals and teddy bears - you can turn both of them inside out

    Article • ChemistryOpen, September 2015, Wiley

    Dr Antony John Williams, Gary Martin, Professor Mark W Peczuh

  144. Turning Spiroketals Inside Out: A Rearrangement Triggered by an Enol Ether Epoxidation

    Article • ChemistryOpen, September 2015, Wiley

    Gary Martin, Dr Antony John Williams, Professor Mark W Peczuh

  145. Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data

    Article • Future Medicinal Chemistry, September 2015, Future Science

    Dr Kamel Mansouri, Dr kamel mansouri, Dr Antony John Williams

  146. Integrated Model of Chemical Perturbations of a Biological Pathway Using 18In VitroHigh-Throughput Screening Assays for the Estrogen Receptor

    Article • Toxicological Sciences, August 2015, Oxford University Press (OUP)

    Dr Keith Houck, Dr Kevin M Crofton, Dr kamel mansouri, Dr Antony John Williams

  147. From chemistry to biology database curation

    Article • Drug Discovery Today Technologies, July 2015, Elsevier

    Dr Antony John Williams

  148. The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets

    Article • Journal of Cheminformatics, June 2015, Springer Science + Business Media

    Dr Antony John Williams

  149. Turning Spiroketals Inside Out: A Rearrangement Triggered by an Enol Ether Epoxidation

    Article • ChemistryOpen, June 2015, Wiley

    Professor Mark W Peczuh, Gary Martin, Dr Antony John Williams

  150. Predicting Hepatotoxicity Using ToxCastin VitroBioactivity and Chemical Structure

    Article • Chemical Research in Toxicology, April 2015, American Chemical Society (ACS)

    Dr kamel mansouri, Dr Richard S Judson, Dr Kamel Mansouri, Dr Antony John Williams

  151. Publishing chemistry data in a way that allows computers to actually use it

    Article • Journal of Cheminformatics, March 2015, Springer Science + Business Media

    Dr Antony John Williams, Alex Michael Clark, Dr Sean Ekins

  152. Adding Chemistry Functionality to a Generic Open Source Electronic Lab Notebook (Labtrove)

    Article • Journal of Chemical Information and Modeling, February 2015, American Chemical Society (ACS)

    Dr Antony John Williams, Dr Simon J Coles, Jeremy Frey, Jeremy Frey

  153. New Tools and Challenges for Chemical Education: Mobile Learning, Augmented Reality, and Distributed Cognition in the Dawn of the Social and Semantic Web

    Article • January 2015, Wiley

    Dr Antony John Williams

  154. Computer–Based Structure Elucidation from Spectral Data

    Article • January 2015, Springer Science + Business Media

    Dr Antony John Williams

  155. Strategies of Structure Elucidation

    Article • January 2015, Springer Science + Business Media

    Dr Antony John Williams

  156. Fundamentals of Structure Elucidator System

    Article • January 2015, Springer Science + Business Media

    Dr Antony John Williams

  157. Structure Elucidation Using Strict Structure Generation

    Article • January 2015, Springer Science + Business Media

    Dr Antony John Williams

  158. Problems Solved Using Fuzzy Structure Generation

    Article • January 2015, Springer Science + Business Media

    Dr Antony John Williams

  159. Simple Examples of Structure Elucidation

    Article • January 2015, Springer Science + Business Media

    Dr Antony John Williams

  160. Dereplication of natural products using minimal NMR data inputs

    Article • Organic & Biomolecular Chemistry, January 2015, Royal Society of Chemistry

    A Moser, Dr Antony John Williams

  161. Article • January 2015

    Dr Antony John Williams

  162. Chapter 8. 1H-NMR Spectroscopy: The Method of Choice for the Dereplication of Natural Product Extracts

    Article • January 2015, Royal Society of Chemistry

    Dr Antony John Williams

  163. Applications of 1H–15N Long-Range Heteronuclear Shift Correlation and 15N NMR in Alkaloid Chemistry

    Article • January 2015, Elsevier

    Gary Martin, Dr Antony John Williams

  164. Chapter 1. New Directions in Natural Products NMR: What Can We Learn by Examining How the Discipline Has Evolved?

    Article • January 2015, Royal Society of Chemistry

    Gary Martin, Dr Antony John Williams

  165. Chapter 11. Future Approaches for Data Processing

    Article • January 2015, Royal Society of Chemistry

    Dr Antony John Williams

  166. Chapter 9. Application of Computer-assisted Structure Elucidation (CASE) Methods and NMR Prediction to Natural Products

    Article • January 2015, Royal Society of Chemistry

    Dr Antony John Williams

  167. Rules for licensing data and computational models

    Article • December 2014, Ubiquity Press, Ltd.

    Dr Sean Ekins, Dr Antony John Williams

  168. Associated challenges with the divergent expansions of public and commercial sources of molecules

    Article • Journal of Medicinal Chemistry, December 2014, American Chemical Society (ACS)

    Dr Antony John Williams, Dr Sean Ekins, Dr Christopher Southan, Dr Nadia Litterman, Dr Christopher A Lipinski

  169. Single Molecule Microscopy and Properties of Olympicene: Olympic Rings at the molecular level

    Article • Chemistry - A European Journal, December 2014, Wiley

    Dr Antony John Williams, Professor Peter Scott

  170. The replacement architecture for RSC's ChemSpider - the RSC Data Repository

    Article • Journal of Computer-Aided Molecular Design, August 2014, Springer Science + Business Media

    Dr Antony John Williams

  171. Truth in structue – Quicker ways to natural product structures that don't require correction

    Article • Planta Medica, July 2014, Thieme Publishing Group

    Dr Antony John Williams

  172. Can drug discovery become more effective using open data and prediction tools?

    Article • Journal of Computer-Aided Molecular Design, June 2014, Springer Science + Business Media

    Dr Antony John Williams, Dr Sean Ekins, Alex Michael Clark, Dr Nadia Litterman

  173. Predicting the efficiency of chemical compounds against the Tuberculosis bacterium

    Article • Journal of Chemical Information and Modeling, April 2014, American Chemical Society (ACS)

    Dr Antony John Williams, Dr Sean Ekins, Joel Freundlich, Alex Michael Clark

  174. Using Open Science Approaches to Find a Cure for Tuberculosis

    Article • Tuberculosis, March 2014, Elsevier

    Dr Antony John Williams, Dr Sean Ekins

  175. Solution for expression when biological objects are the same

    Article • January 2014, Springer Science + Business Media

    Dr Antony John Williams, Professor Chris Evelo

  176. The Semantic Web – ISWC 2014

    Article • January 2014, Springer Science + Business Media

    Dr Antony John Williams, Dr Ziqi Zhang

  177. Applying linked data approaches to pharmacology: Architectural decisions and implementation

    Article • Semantic Web – Interoperability Usability Applicability, January 2014, IOS Press

    Dr Antony John Williams, Professor Chris Evelo

  178. The Scientific Requirements for Integrating chemistry and biology data on the Open PHACTS platform

    Article • December 2013, Taylor & Francis

    Dr Antony John Williams, Dr Niklas U Blomberg

  179. Computational Chemogenomics

    Article • December 2013, Taylor & Francis

    Dr Antony John Williams

  180. Facilitating scientific discovery through crowdsourcing and distributed participation

    Article • EMBnet journal, October 2013, EMBnet Stichting

    Dr Antony John Williams

  181. Scientific competency questions as the basis for semantically enriched open pharmacological space

    Article • Drug Discovery Today, September 2013, Elsevier

    Dr Antony John Williams, Dr Niklas U Blomberg

  182. Using molecular features to generate predictive models for Nuclear Receptors

    Article • Journal of Computational Medicine, June 2013, Hindawi Publishing Corporation

    Dr Antony John Williams, Dr Sean Ekins

  183. Providing the ChEMBL database in a semantic web form as linked open data

    Article • Journal of Cheminformatics, May 2013, Springer Science + Business Media

    Dr Antony John Williams, Valery Tkachenko

  184. Dispensing processes profoundly influence estimates of biological activity of compounds

    Article • PLOS One, May 2013, PLOS

    Dr Antony John Williams, Dr Sean Ekins, Dr Joe Olechno

  185. Quantitative Structure–Activity Relationship Models for Ready Biodegradability of Chemicals

    Article • Journal of Chemical Information and Modeling, April 2013, American Chemical Society (ACS)

    Honorary Professor Roberto Todeschini, Dr kamel mansouri, Dr Kamel Mansouri, Dr Antony John Williams

  186. Sharing precompetitive data and models may accelerate drug discovery

    Article • Drug Discovery Today, March 2013, Elsevier

    Dr Antony John Williams, Dr Sean Ekins, Alex Michael Clark

  187. How Computer-Assisted Structure Elucidation was used to correct a structure in the literature

    Article • Journal of Natural Products, January 2013, American Chemical Society (ACS)

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  188. Using Mobile Technologies for Cheminformatics Applications

    Article • Chem-Bio Informatics Journal, January 2013, Chem-Bio Informatics Society

    Dr Antony John Williams, Dr Sean Ekins, Alex Michael Clark

  189. Challenges associated with obtaining chemical structures of repurposing candidates from an online DB

    Article • Drug Discovery Today, January 2013, Elsevier

    Dr Antony John Williams, Dr Sean Ekins, Dr Christopher Southan

  190. Incorporating Commercial and Private Data into a Semantic Web Platform for Drug Discovery

    Article • January 2013, Springer Science + Business Media

    Dr Antony John Williams

  191. Teaching NMR Spectroscopy Using ChemSpider and other RSC resources

    Article • January 2013, American Chemical Society (ACS)

    Dr Antony John Williams

  192. Review of “Contemporary computer-assisted approaches to molecular structure elucidation (new developments in NMR)” by Mikhail E Elyashberg, Antony Williams and Kirill Blinov

    Article • Journal of Cheminformatics, January 2013, Springer Science + Business Media

    Dr Antony John Williams

  193. How Mobile Devices and Apps for Green Chemistry can bring value to scientists

    Article • ACS Sustainable Chemistry & Engineering, December 2012, American Chemical Society (ACS)

    Dr Antony John Williams, Dr Sean Ekins, Alex Michael Clark

  194. InChI: connecting and navigating chemistry

    Article • Journal of Cheminformatics, December 2012, Springer Science + Business Media

    Dr Antony John Williams

  195. An outline of what Open PHACTS is

    Article • Drug Discovery Today, November 2012, Elsevier

    Dr Antony John Williams, Dr Niklas U Blomberg, Professor Chris Evelo

  196. Applying Atomic Force Microscopy and Computer Assisted Structure Elucidation in Tandem

    Article • Angewandte Chemie, October 2012, Wiley

    Dr Antony John Williams, Kirill Blinov

  197. A Combined Atomic Force Microscopy and Computational Approach for the Structural Elucidation of Breitfussin A and B: Highly Modified Halogenated Dipeptides from Thuiaria breitfussi

    Article • Angewandte Chemie, October 2012, Wiley

    Kirill Blinov, Dr Antony John Williams

  198. Assessing bioaccumulation of polybrominated diphenyl ethers for aquatic species by QSAR modeling

    Article • Chemosphere, October 2012, Elsevier

    Honorary Professor Roberto Todeschini, Dr kamel mansouri, Dr Kamel Mansouri, Dr Antony John Williams

  199. Simple Rules are needed for Licensing Data and Models for Open Drug Discovery

    Article • PLoS Computational Biology, September 2012, PLOS

    Dr Antony John Williams, Dr Sean Ekins

  200. A review of chemical name generation software approaches for organic compounds

    Article • Wiley Interdisciplinary Reviews Computational Molecular Science, September 2012, Wiley

    Dr Antony John Williams

  201. Delivering an app on a mobile platform to enable collaboration in open drug discovery

    Article • Molecular Informatics, August 2012, Wiley

    Dr Antony John Williams, Dr Sean Ekins, Alex Michael Clark

  202. Analysing bioassay data from the public domain for human P-glycoprotein inhibitors and substrates

    Article • Molecular Informatics, August 2012, Wiley

    Dr Antony John Williams

  203. Using mobile apps for the application of cheminformatics - making it intuitive

    Article • Molecular Informatics, July 2012, Wiley

    Dr Antony John Williams, Dr Sean Ekins, Alex Michael Clark

  204. What it will take to ensure that we build high quality public databases of chemical compounds

    Article • Drug Discovery Today, July 2012, Elsevier

    Dr Antony John Williams, Dr Sean Ekins, Valery Tkachenko

  205. Comparison of Different Approaches to Define the Applicability Domain of QSAR Models

    Article • Molecules, April 2012, MDPI AG

    Honorary Professor Roberto Todeschini, Dr kamel mansouri, Dr Kamel Mansouri, Dr Antony John Williams

  206. drug discovery bottlenecks

    Article • Nature Precedings, March 2012, Springer Science + Business Media

    Dr Antony John Williams, Dr Sean Ekins

  207. drug discovery bottlenecks

    Article • Nature Precedings, March 2012, Springer Science + Business Media

    Dr Sean Ekins, Dr Antony John Williams

  208. Blind trials of computer-assisted structure elucidation software

    Article • Journal of Cheminformatics, February 2012, Springer Science + Business Media

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg, A Moser

  209. Utilizing open source software to facilitate communication of chemistry at RSC

    Article • January 2012, Elsevier

    Dr Antony John Williams, Dr Colin R Batchelor, Rich Kidd

  210. Hosting a Compound Centric Community Resource for Chemistry Data

    Article • January 2012, American Chemical Society (ACS)

    Dr Antony John Williams

  211. Databases for computational toxicology

    Article • January 2012, Springer Science + Business Media

    Dr Antony John Williams, Dr Sean Ekins

  212. Elucidating "Undecipherable" Chemical Structures Using CASE

    Article • Magnetic Resonance in Chemistry, January 2012, Wiley

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  213. CASE 2D NMR-based Expert Systems

    Article • November 2011, Royal Society of Chemistry

    Prof. Dr. Mikhail Elyashberg, Dr Antony John Williams

  214. Conclusions

    Article • November 2011, Royal Society of Chemistry

    Dr Antony John Williams

  215. Approaches to Algorithmic Structure Elucidation

    Article • November 2011, Royal Society of Chemistry

    Dr Antony John Williams

  216. Challenging Structure Elucidator

    Article • November 2011, Royal Society of Chemistry

    Dr Antony John Williams

  217. Cognitive Peculiarities of the Structure Elucidation Problem

    Article • November 2011, Royal Society of Chemistry

    Dr Antony John Williams

  218. Methods of NMR Spectrum Prediction and Structure Verification

    Article • November 2011, Royal Society of Chemistry

    Dr Antony John Williams

  219. The Knowledge Base of the Structure Elucidator CASE System

    Article • November 2011, Royal Society of Chemistry

    Dr Antony John Williams

  220. An Evaluation of the Performance of the Structure Elucidator System

    Article • November 2011, Royal Society of Chemistry

    Dr Antony John Williams

  221. CASE Expert Systems Based on 1D NMR Spectra

    Article • November 2011, Royal Society of Chemistry

    Dr Antony John Williams

  222. Methods of Relative Stereochemistry Determination in CASE Systems

    Article • November 2011, Royal Society of Chemistry

    Dr Antony John Williams

  223. Primary Data Processing: Preparation, Input and Checking

    Article • November 2011, Royal Society of Chemistry

    Dr Antony John Williams

  224. Comparison of Systematic CASE Systems versus a Traditional Approach

    Article • November 2011, Royal Society of Chemistry

    Dr Antony John Williams

  225. Structural Revisions of Natural Products with the Aid of the Structure Elucidator System

    Article • November 2011, Royal Society of Chemistry

    Dr Antony John Williams

  226. The Challenge of Non-Standard Spectral Responses and the Role of Fuzzy Structure Generation

    Article • November 2011, Royal Society of Chemistry

    Dr Antony John Williams

  227. Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation

    Article • November 2011, Royal Society of Chemistry

    Prof. Dr. Mikhail Elyashberg, Dr Antony John Williams

  228. Identification of “Known Unknowns” Utilizing Accurate Mass Data and ChemSpider

    Article • Journal of the American Society for Mass Spectrometry, November 2011, American Chemical Society (ACS)

    Dr Antony John Williams

  229. Mobile apps for chemistry

    Article • Drug Discovery Today, November 2011, Elsevier

    Dr Antony John Williams, Dr Sean Ekins, Alex Michael Clark

  230. Quality of public chemistry databases

    Article • Drug Discovery Today, September 2011, Elsevier

    Dr Antony John Williams, Dr Sean Ekins

  231. ONS Open Melting Point Collection

    Article • Nature Precedings, August 2011, Springer Science + Business Media

    Dr Antony John Williams

  232. ONS Open Melting Point Collection

    Article • Nature Precedings, August 2011, Springer Science + Business Media

    Dr Antony John Williams

  233. The OCHEM web-based platform for data modeling/QSAR prediction

    Article • Journal of Computer-Aided Molecular Design, June 2011, Springer Science + Business Media

    Dr Antony John Williams, Valery Tkachenko, Honorary Professor Roberto Todeschini, Dr. Matthias Rupp

  234. new uses for old drugs

    Article • Pharmaceutical Research, May 2011, Springer Science + Business Media

    Dr Antony John Williams, Dr Sean Ekins

  235. collaborative technologies for research

    Article • May 2011, Wiley

    Dr Antony John Williams, Dr Sean Ekins

  236. Collaborations in chemistry

    Article • May 2011, Wiley

    Dr Antony John Williams, Dr Sean Ekins

  237. Chemspider: A Platform for Crowdsourced Collaboration to Curate Data Derived From Public Compound Databases

    Article • May 2011, Wiley

    Dr Antony John Williams

  238. Standards for Collaborative Computational Technologies

    Article • May 2011, Wiley

    Dr Antony John Williams, Dr Sean Ekins

  239. Challenges for collaborative computational technologies

    Article • May 2011, Wiley

    Dr Antony John Williams, Dr Sean Ekins

  240. Frontmatter

    Article • May 2011, Wiley

    Dr Antony John Williams

  241. Index

    Article • May 2011, Wiley

    Dr Antony John Williams

  242. Smart Phones, a Powerful Tool in the Chemistry Classroom

    Article • Journal of Chemical Education, April 2011, American Chemical Society (ACS)

    Dr Antony John Williams

  243. repositioning approved drugs

    Article • Drug Discovery Today, April 2011, Elsevier

    Dr Antony John Williams, Dr Sean Ekins, Joel Freundlich

  244. Front Matter

    Article • January 2011, Royal Society of Chemistry

    Dr Antony John Williams

  245. Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

    Article • Journal of Cheminformatics, January 2011, Springer Science + Business Media

    Dr Antony John Williams, Honorary Professor Roberto Todeschini

  246. Utilizing Long-Range1H-15N 2-D NMR Spectroscopy for Chemical Structure Elucidation and Confirmation

    Article • December 2010, Wiley

    Dr Antony John Williams, Gary Martin

  247. ChemInform Abstract: Structural Revisions of Natural Products by Computer‐Assisted Structure Elucidation (CASE) Systems

    Article • ChemInform, November 2010, Wiley

    Dr Antony John Williams, Kirill Blinov

  248. When pharmaceutical companies publish large datasets: an abundance of riches or fool's gold?

    Article • Drug Discovery Today, October 2010, Elsevier

    Dr Antony John Williams, Dr Sean Ekins

  249. Beautifying Data in the Real World

    Article • Nature Precedings, September 2010, Springer Science + Business Media

    Dr Antony John Williams

  250. A Predictive Ligand-Based Bayesian Model for Human Drug-Induced Liver Injury

    Article • Drug Metabolism and Disposition, September 2010, American Society for Pharmacology & Experimental Therapeutics (ASPET)

    Dr Sean Ekins, Dr Antony John Williams

  251. The first article describing the value of ChemSpider for students and educators

    Article • Journal of Chemical Education, August 2010, American Chemical Society (ACS)

    Dr Antony John Williams

  252. How Community Crowdsourcing and Social Networking is Helping to Build a Quality Online Resource for Chemists

    Article • August 2010, SciVee, Inc

    Dr Antony John Williams

  253. ChemInform Abstract: Computer‐Assisted Methods for Molecular Structure Elucidation: Realizing a Spectroscopist′s Dream

    Article • ChemInform, June 2010, Wiley

    Dr Antony John Williams, Kirill Blinov

  254. Erratum to: Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining

    Article • Journal of Cheminformatics, June 2010, Springer Science + Business Media

    Dr Antony John Williams

  255. Chemistry in your kitchen

    Article • Nature Chemistry, May 2010, Springer Science + Business Media

    Dr Antony John Williams

  256. Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining

    Article • Journal of Cheminformatics, March 2010, Springer Science + Business Media

    Dr Antony John Williams, Valery Tkachenko

  257. Open Notebook Science Challenge: Solubilities of Organic Compounds in Organic Solvents

    Article • Nature Precedings, March 2010, Springer Science + Business Media

    Dr Antony John Williams

  258. Open Notebook Science Challenge: Solubilities of Organic Compounds in Organic Solvents

    Article • Nature Precedings, March 2010, Springer Science + Business Media

    Dr Antony John Williams

  259. Open Notebook Science Challenge: Solubilities of Organic Compounds in Organic Solvents

    Article • Nature Precedings, March 2010, Springer Science + Business Media

    Dr Antony John Williams

  260. Open Notebook Science Challenge: Solubilities of Organic Compounds in Organic Solvents

    Article • Nature Precedings, February 2010, Springer Science + Business Media

    Dr Antony John Williams

  261. Reaching Out to Collaborators: Crowdsourcing for Pharmaceutical Research

    Article • Pharmaceutical Research, January 2010, Springer Science + Business Media

    Dr Antony John Williams, Dr Sean Ekins

  262. Empirical and DFT GIAO quantum‐mechanical methods of 13C chemical shifts prediction: competitors or collaborators?

    Article • Magnetic Resonance in Chemistry, January 2010, Wiley

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  263. Crowdsourced Chemistry Why Online Chemistry Data Needs Your Help

    Article • January 2010, SciVee, Inc

    Dr Antony John Williams

  264. Examining public datasets of antimalarial “hits” and drugs

    Article • MedChemComm, January 2010, Royal Society of Chemistry

    Dr Antony John Williams, Dr Sean Ekins

  265. Precompetitive preclinical ADME/Tox data: set it free on the web to facilitate computational model building and assist drug development

    Article • Lab on a Chip, January 2010, Royal Society of Chemistry

    Dr Antony John Williams, Dr Sean Ekins

  266. Laboratory Information Management Systems (LIMS)

    Article • January 2010, Elsevier

    Dr Antony John Williams

  267. ChemSpider: Integrating Structure-Based Resources Distributed across the Internet

    Article • January 2010, American Chemical Society (ACS)

    Dr Antony John Williams

  268. How many chemical structures in the literature can be corrected using computer analysis of NMR data

    Article • Natural Product Reports, January 2010, Royal Society of Chemistry

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  269. Enhancing Learning with Online Resources, Social Networking, and Digital Libraries

    Article • January 2010, American Chemical Society (ACS)

    Dr Antony John Williams

  270. Citizen Scientists and Their Contributions to Internet Based Chemistry

    Article • December 2009, SciVee, Inc

    Dr Antony John Williams

  271. Natural Product Chemistry for Drug Discovery

    Article • October 2009, Royal Society of Chemistry

    Dr Antony John Williams

  272. Short Title

    Article • August 2009, SciVee, Inc

    Dr Antony John Williams

  273. Learning to Interpret NMR spectra using an online game

    Article • Journal of Cheminformatics, June 2009, Springer Science + Business Media

    Dr Antony John Williams, Andrew Lang

  274. Development of a fast and accurate method of 13C NMR chemical shift prediction

    Article • Chemometrics and Intelligent Laboratory Systems, May 2009, Elsevier

    Dr Antony John Williams, Kirill Blinov

  275. Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream

    Article • Journal of Cheminformatics, March 2009, Springer Science + Business Media

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  276. The application of empirical methods of 13C NMR chemical shift prediction as a filter for determining possible relative stereochemistry

    Article • Magnetic Resonance in Chemistry, February 2009, Wiley

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  277. A systematic approach for the generation and verification of structural hypotheses

    Article • Magnetic Resonance in Chemistry, February 2009, Wiley

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  278. Automated Identification and Conversion of Chemical Names to Structure-Searchable Information

    Article • December 2008, Taylor & Francis

    Dr Antony John Williams

  279. Optimization of the Ugi Reaction Using Parallel Synthesis and Automated Liquid Handling

    Article • Journal of Visualized Experiments, November 2008, MyJove Corporation

    Dr Antony John Williams

  280. ChemInform Abstract: Computer‐Assisted Structure Verification and Elucidation Tools in NMR‐based Structure Elucidation

    Article • ChemInform, October 2008, Wiley

    Dr Antony John Williams

  281. Multistep correlations via covariance processing of COSY/GCOSY spectra: opportunities and artifacts

    Article • Magnetic Resonance in Chemistry, September 2008, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin

  282. Optimization of the Ugi reaction using parallel synthesis and automated liquid handling

    Article • Nature Precedings, August 2008, Springer Science + Business Media

    Dr Antony John Williams

  283. Unsymmetrical indirect covariance processing of hyphenated and long‐range heteronuclear 2D NMR spectra ‐ Enhanced visualization of 2JCH and 4JCH correlation responses

    Article • Journal of Heterocyclic Chemistry, July 2008, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin

  284. Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation

    Article • Progress in Nuclear Magnetic Resonance Spectroscopy, July 2008, Elsevier

    Prof. Dr. Mikhail Elyashberg, Dr Antony John Williams

  285. A perspective of publicly accessible/open-access chemistry databases

    Article • Drug Discovery Today, June 2008, Elsevier

    Dr Antony John Williams

  286. Internet-based tools for communication and collaboration in chemistry

    Article • Drug Discovery Today, June 2008, Elsevier

    Dr Antony John Williams

  287. Performance Validation of Neural Network Based 13C NMR Prediction Using a Publicly Available Data Source

    Article • Journal of Chemical Information and Modeling, February 2008, American Chemical Society (ACS)

    Kirill Blinov, Dr Antony John Williams

  288. Applying Computer-Assisted Structure Elucidation Algorithms for the Purpose of Structure Validation: Revisiting the NMR Assignments of Hexacyclinol

    Article • Journal of Natural Products, February 2008, American Chemical Society (ACS)

    Kirill Blinov, Prof. Dr. Mikhail Elyashberg, Gary Martin, Dr Antony John Williams

  289. Chemistry Crowdsourcing and Open Notebook Science

    Article • Nature Precedings, January 2008, Springer Science + Business Media

    Dr Antony John Williams

  290. Chemistry Crowdsourcing and Open Notebook Science

    Article • Nature Precedings, January 2008, Springer Science + Business Media

    Dr Antony John Williams

  291. Using indirect covariance spectra to identify artifact responses in unsymmetrical indirect covariance calculated spectra

    Article • Magnetic Resonance in Chemistry, December 2007, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin

  292. Toward More Reliable 13C and 1H Chemical Shift Prediction:  A Systematic Comparison of Neural-Network and Least-Squares Regression Based Approaches

    Article • Journal of Chemical Information and Modeling, December 2007, American Chemical Society (ACS)

    Dr Antony John Williams, Kirill Blinov

  293. 13C−15N Correlation via Unsymmetrical Indirect Covariance NMR: Application to Vinblastine

    Article • Journal of Natural Products, November 2007, American Chemical Society (ACS)

    Dr Antony John Williams, Kirill Blinov, Gary Martin

  294. Major Structural Components in Freshwater Dissolved Organic Matter

    Article • Environmental Science & Technology, November 2007, American Chemical Society (ACS)

    Dr Antony John Williams, A Moser

  295. How 15N NMR can be used in the structure elucidation of complex alkaloid natural products

    Article • October 2007, Wiley

    Dr Antony John Williams, Gary Martin

  296. Using mathematical processing techniques to build molecular skeletons from NMR data

    Article • Journal of Heterocyclic Chemistry, September 2007, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin

  297. Application of unsymmetrical indirect covariance NMR methods to the computation of the 13C↔15N HSQC‐IMPEACH and 13C↔15N HMBC‐IMPEACH correlation spectra

    Article • Magnetic Resonance in Chemistry, August 2007, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin

  298. Automated structure verification based on a combination of 1D 1H NMR and 2D 1H13C HSQC spectra

    Article • Magnetic Resonance in Chemistry, August 2007, Wiley

    Dr Antony John Williams

  299. Indirect covariance mathematical processing to create an equivalent GHSQC-TOCSY experiment

    Article • Journal of Natural Products, August 2007, American Chemical Society (ACS)

    Dr Antony John Williams, Kirill Blinov, Gary Martin

  300. Introducing ambiguity of data interpretation can provide better answers for interpreting NMR data

    Article • ChemInform, July 2007, Wiley

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  301. Long‐Range 1H—15N Heteronuclear Shift Correlation

    Article • ChemInform, June 2007, Wiley

    Gary Martin, Dr Antony John Williams

  302. Identifying 15N-13C connectivity networks using covariance processing techniques of NMR data

    Article • Magnetic Resonance in Chemistry, June 2007, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin

  303. Mathematical generation of HSQC-NOESY data equivalent data using covariance processing approaches

    Article • Magnetic Resonance in Chemistry, April 2007, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin

  304. Fuzzy Structure Generation:  A New Efficient Tool for Computer-Aided Structure Elucidation (CASE)

    Article • Journal of Chemical Information and Modeling, March 2007, American Chemical Society (ACS)

    Kirill Blinov, Dr Antony John Williams

  305. The ACS style guide: effective communication of scientific information

    Article • Choice Reviews Online, December 2006, American Library Association

    Dr Antony John Williams

  306. Are Deterministic Expert Systems for Computer‐Assisted Structure Elucidation Obsolete?

    Article • ChemInform, September 2006, Wiley

    Kirill Blinov, Prof. Dr. Mikhail Elyashberg, Dr Antony John Williams

  307. Chemical Structures

    Article • June 2006, American Chemical Society (ACS)

    Dr Antony John Williams

  308. Computer-Assisted Structure Elucidation software CAN elucidate EXTREMELY complex molecules!

    Article • Journal of Chemical Information and Modeling, May 2006, American Chemical Society (ACS)

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  309. The Application of 1H High-Resolution Magic-Angle Spinning NMR for the Study of Clay−Organic Associations in Natural and Synthetic Complexes

    Article • Langmuir, April 2006, American Chemical Society (ACS)

    Dr Antony John Williams, A Moser

  310. Assessing the organic composition of urban surface films using nuclear magnetic resonance spectroscopy

    Article • Chemosphere, March 2006, Elsevier

    Dr Antony John Williams, A Moser

  311. Automated structure verification based on 1H NMR prediction

    Article • Magnetic Resonance in Chemistry, February 2006, Wiley

    Dr Antony John Williams

  312. Long‐range carbon–carbon connectivity via unsymmetrical indirect covariance processing of HSQC and HMBC NMR data

    Article • Magnetic Resonance in Chemistry, January 2006, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin

  313. Unsymmetrical covariance processing of COSY or TOCSY and HSQC NMR data to obtain the equivalent of HSQC‐COSY or HSQC‐TOCSY spectra

    Article • Journal of Heterocyclic Chemistry, January 2006, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin

  314. Practical Interpretation of P‐31 NMR Spectra and Computer Assisted Structure Verification. Von Louis D. Quin und Antony J. Williams.

    Article • Angewandte Chemie, November 2005, Wiley

    Dr Antony John Williams

  315. Computer-aided determination of relative stereochemistry and 3D models of complex organic molecules from 2D NMR spectra

    Article • Tetrahedron, October 2005, Elsevier

    Dr Antony John Williams, Kirill Blinov, Gary Martin

  316. Analysis and elimination of artifacts in indirect covariance NMR spectra via unsymmetrical processing

    Article • Magnetic Resonance in Chemistry, September 2005, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin, A Moser

  317. Long-Range 1H–15N Heteronuclear Shift Correlation

    Article • January 2005, Elsevier

    Dr Antony John Williams, Gary Martin

  318. Structure Elucidation from 2D NMR Spectra Using the StrucEluc Expert System: Detection and Removal of Contradictions in the Data.

    Article • ChemInform, November 2004, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin, Prof. Dr. Mikhail Elyashberg

  319. Book Review

    Article • Phosphorus Sulfur and Silicon and the Related Elements, November 2004, Taylor & Francis

    Dr Antony John Williams

  320. An addendum showing how an error crept into an article about NMR prediction

    Article • Journal of Magnetic Resonance, November 2004, Elsevier

    Dr Antony John Williams

  321. Structure Elucidation from 2D NMR Spectra Using theStrucElucExpert System:  Detection and Removal of Contradictions in the Data

    Article • Journal of Chemical Information and Modeling, September 2004, American Chemical Society (ACS)

    Dr Antony John Williams

  322. Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments

    Article • ChemInform, July 2004, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin, Prof. Dr. Mikhail Elyashberg

  323. Automated structure elucidation of two unexpected products in a reaction of an α,β‐unsaturated pyruvate

    Article • Magnetic Resonance in Chemistry, May 2004, Wiley

    Dr Antony John Williams, Kirill Blinov

  324. Structure Elucidator:  A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments

    Article • Journal of Chemical Information and Modeling, March 2004, American Chemical Society (ACS)

    Kirill Blinov, Prof. Dr. Mikhail Elyashberg, Dr Antony John Williams

  325. Identifying residues in natural organic matter through spectral prediction and pattern matching of 2D NMR datasets

    Article • Magnetic Resonance in Chemistry, December 2003, Wiley

    Dr Antony John Williams, A Moser

  326. Automated structure elucidation — the benefits of a symbiotic relationship between the spectroscopist and the expert system

    Article • Journal of Heterocyclic Chemistry, November 2003, Wiley

    Dr Antony John Williams, Kirill Blinov

  327. Quindolinocryptotackieine: the elucidation of a novel indoloquinoline alkaloid structure through the use of computer‐assisted structure elucidation and 2D NMR

    Article • Magnetic Resonance in Chemistry, July 2003, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin

  328. Computer‐assisted structure elucidation of natural products with limited 2D NMR data: application of the StrucEluc system

    Article • Magnetic Resonance in Chemistry, March 2003, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin, Prof. Dr. Mikhail Elyashberg

  329. Identification of degradants of a complex alkaloid using NMR cryoprobe technology and ACD/structure elucidator

    Article • Journal of Heterocyclic Chemistry, November 2002, Wiley

    Dr Antony John Williams, Kirill Blinov, Gary Martin

  330. Application of a New Expert System for the Structure Elucidation of Natural Products from Their 1D and 2D NMR Data

    Article • Journal of Natural Products, April 2002, American Chemical Society (ACS)

    Dr Antony John Williams, Kirill Blinov, Prof. Dr. Mikhail Elyashberg

  331. A new approach to automated first‐order multiplet analysis

    Article • Magnetic Resonance in Chemistry, March 2002, Wiley

    Dr Antony John Williams

  332. Applications of Computer Software for the Interpretation and Management of Mass Spectrometry Data in Pharmaceutical Science

    Article • Current Topics in Medicinal Chemistry, January 2002, Bentham Science Publishers

    Dr Antony John Williams

  333. An expert system for automated structure elucidation utilizing 1 H- 1 H, 13 C- 1 H and 15 N- 1 H 2D NMR correlations

    Article • Analytical and Bioanalytical Chemistry, April 2001, Springer Science + Business Media

    Kirill Blinov, Dr Antony John Williams

  334. Variable-temperature high-pressure investigation of the cobalt-59 NMR spectroscopy of aqueous K3[Co(CN)6]

    Article • Magnetic Resonance in Chemistry, January 2001, Wiley

    Dr Antony John Williams

  335. Improved Baseline Recognition and Modeling of FT NMR Spectra

    Article • Journal of Magnetic Resonance, September 2000, Elsevier

    Dr Antony John Williams

  336. The Need for Systematic Naming Software Tools for Exchange of Chemical Information

    Article • Molecules, September 1999, MDPI AG

    Dr Antony John Williams

  337. Laboratory Information Management Systems (LIMS)

    Article • January 1999, Elsevier

    Dr Antony John Williams

  338. How Kodak built the first web-based information management system

    Article • TrAC Trends in Analytical Chemistry, August 1997, Elsevier

    Dr Antony John Williams

  339. Microstructure analysis at the percolation threshold in reverse microemulsions

    Article • Colloids and Surfaces A Physicochemical and Engineering Aspects, August 1997, Elsevier

    Dr Antony John Williams

  340. Reverse micelle to sponge phase transition

    Article • The Journal of Chemical Physics, May 1997, American Institute of Physics

    Dr Antony John Williams, Prof John Texter

  341. Self-diffusion near the percolation threshold in reverse microemulsions

    Article • December 1996, American Physical Society (APS)

    Dr Antony John Williams, Prof John Texter

  342. Facile Rearrangements of Alkynylamino Heterocycles with Noble Metal Cations

    Article • The Journal of Organic Chemistry, January 1996, American Chemical Society (ACS)

    Dr Antony John Williams

  343. Substituent‐induced chemical shifts of aromatic carbon centres in a series of non‐acetylated and peracetylated Para‐substituted aryl 2‐N‐acetamido‐2‐deoxy‐β‐D‐glucopyranosides

    Article • Magnetic Resonance in Chemistry, December 1995, Wiley

    Dr Antony John Williams

  344. 1H NMR Exchange Reactions in Tellurium(IV) Derivatives with Cleavage of Te-N Bonds

    Article • Organometallics, November 1995, American Chemical Society (ACS)

    Dr Antony John Williams

  345. A Mechanism for Heteroatom Scrambling in the Synthesis of Unsymmetrical Chalcogenopyrylium Trimethine Dyes

    Article • The Journal of Organic Chemistry, October 1995, American Chemical Society (ACS)

    Dr Antony John Williams

  346. Single-Crystal EPR Study of Triplet Excitons in Tetraethylammonium 2,3,5,6-Tetracyanobenzoquinonide. Evidence for an Interdimer Triplet Exciton

    Article • Journal of the American Chemical Society, March 1995, American Chemical Society (ACS)

    Dr Antony John Williams

  347. NMR Analysis of Interfacial Structure Transitions Accompanying Electron-Transfer Threshold Transition in Reverse Microemulsions

    Article • Langmuir, December 1994, American Chemical Society (ACS)

    Prof John Texter, Dr Antony John Williams

  348. Analysis of the13C and1H spectra of mixtures of benzylidene derivatives

    Article • Magnetic Resonance in Chemistry, August 1994, Wiley

    Dr Antony John Williams

  349. The use of NMR to study sodium dodecyl sulfate-gelatin interactions

    Article • Langmuir, January 1994, American Chemical Society (ACS)

    Dr Antony John Williams

  350. Global and internal molecular dynamics of poly(acrylamide-co-allyl 2-acetamido-2-deoxy-D-glucopyranoside) glycopolymers from 13C NMR relaxation studies

    Article • Canadian Journal of Chemistry, December 1993, Canadian Science Publishing

    Dr Antony John Williams

  351. Cosurfactant-induced electron transfer in highly resistive microemulsions

    Article • Langmuir, November 1993, American Chemical Society (ACS)

    Dr Antony John Williams, Prof John Texter

  352. Thermolysis of 2-benzylidenebenzocyclobutenols

    Article • The Journal of Organic Chemistry, November 1992, American Chemical Society (ACS)

    Dr Antony John Williams

  353. Using 2D NMR spectroscopy to examine exchange between selenium and selenium-sulfur dihalides

    Article • Inorganic Chemistry, October 1992, American Chemical Society (ACS)

    Dr Antony John Williams

  354. An x-ray crystallographic and single-crystal EPR investigation of the cationic, iron-centered radical tricarbonylbis(triphenylphosphine)iron(I), {Fe(CO)3(PPh3)2+}. A theoretical examination of the structural preferences of five-coordinated seventeen-el...

    Article • Journal of the American Chemical Society, December 1991, American Chemical Society (ACS)

    Dr Antony John Williams

  355. Carbon-carbon double-bond formation in the intermolecular acetonitrile reductive coupling promoted by a mononuclear titanium(II) compound. Preparation and characterization of two titanium(IV) imido derivatives

    Article • Inorganic Chemistry, December 1991, American Chemical Society (ACS)

    Dr Antony John Williams

  356. 1H and 13C chemical shift assignments of para‐substituted aryl 2‐acetamido‐2‐deoxy‐β‐D‐glucopyranosides

    Article • Magnetic Resonance in Chemistry, August 1991, Wiley

    Dr Antony John Williams

  357. EPR spectra in γ‐irradiated PPN+HFeW(CO)9− crystals

    Article • Magnetic Resonance in Chemistry, May 1991, Wiley

    Dr Antony John Williams

  358. Using NMR spectroscopy to study molecular motions of alkyl chains

    Article • Magnetic Resonance in Chemistry, March 1991, Wiley

    Dr Antony John Williams

  359. EPR studies of chromium tungsten carbonyl sulfur dimer, S[M(CO)5]2-, radicals (M = chromium, tungsten) trapped in single crystals of bis(triphenylphosphino)imium salt, PPN+HS[M(CO)5]2-

    Article • Organometallics, January 1991, American Chemical Society (ACS)

    Dr Antony John Williams

  360. Electron paramagnetic resonance studies of radical pairs [M(CO) ? 5 ]2(M = Cr, Mo, W) trapped in single crystals of PPh + 4 HM(CO) ? 5

    Article • Journal of the Chemical Society Faraday Transactions, January 1991, Royal Society of Chemistry

    Dr Antony John Williams

  361. Electron paramagnetic resonance study of isolated free radical pairs in M+18-crown-6 TCNQ–. (TCNQ = 7,7′,8,8′-tetracyano-p-quinodimethane; M = K, Rb)

    Article • Journal of the Chemical Society Faraday Transactions, January 1991, Royal Society of Chemistry

    Dr Antony John Williams

  362. Combined x-ray crystallographic, single-crystal EPR, and theoretical study of metal-centered radicals of the type [.eta.5C5R5Cr(CO)2L] (R = H, Me; L = CO, tertiary phosphine)

    Article • Journal of the American Chemical Society, January 1991, American Chemical Society (ACS)

    Dr Antony John Williams

  363. EPR spectra of dichloro(pentamethylcyclopentadienyl)bis(trimethylphosphine)molybdenum in solution and in single crystals of (C5Me5)MoCl(PMe3)2(N2)

    Article • Inorganic Chemistry, January 1991, American Chemical Society (ACS)

    Dr Antony John Williams

  364. Aerial energy surveying using infrared techniques

    Article • October 1990, SPIE

    Dr Antony John Williams

  365. Single‐crystal electron paramagnetic resonance study of triplet excitons in [Fe(mesitylene)2+2][C3(C(CN)2)−3]2

    Article • The Journal of Chemical Physics, August 1990, American Institute of Physics

    Dr Antony John Williams

  366. EPR studies of M(CO)5- radicals (M = chromium, molybdenum, tungsten) trapped in single crystals of PPN+HM(CO)5-

    Article • Organometallics, August 1990, American Chemical Society (ACS)

    Dr Antony John Williams

  367. NMR relaxation studies of internal motions: a comparison between micelles and related systems

    Article • The Journal of Physical Chemistry B, April 1990, American Chemical Society (ACS)

    Dr Antony John Williams

  368. ESR spectrum of the diiron octacarbonyl (Fe2(CO)8-) radical trapped in single crystals of bis(triphenylphosphine)nitrogen diiron octacarbonyl (PPN+HFe2(CO)8-)

    Article • Organometallics, March 1990, American Chemical Society (ACS)

    Dr Antony John Williams

  369. The evaluation of two correlation times for methyl groups from carbon-13 spin-lattice relaxation times and NOE data

    Article • Journal of Magnetic Resonance (1969), February 1990, Elsevier

    Dr Antony John Williams

  370. Electron Paramagnetic Resonance examination of the efficiency of back-bonding in organometallics

    Article • Journal of the Chemical Society Dalton Transactions, January 1990, Royal Society of Chemistry

    Dr Antony John Williams

  371. Isolated free-radical pairs in Rb+ 18-crown-6 TCNQ? single crystals (TCNQ = tetracyanoquinodimethane)

    Article • Journal of the Chemical Society Chemical Communications, January 1990, Royal Society of Chemistry

    Dr Antony John Williams

  372. Single‐crystal electron‐spin resonance study of the 4‐phenyl‐1,2,3,5‐dithiadiazolyl radical

    Article • Magnetic Resonance in Chemistry, December 1989, Wiley

    Dr Antony John Williams

  373. Ageing in niobium-rich niobium-hafnium-carbon alloys

    Article • Journal of the Less Common Metals, July 1970, Elsevier

    Dr Antony John Williams

  374. Low‐Energy Electron‐Impact Study of the 12–14‐eV Transitions in Nitrogen

    Article • The Journal of Chemical Physics, October 1969, American Institute of Physics

    Dr Antony John Williams

  375. Some enzymic syntheses of 15N-L-aspartic acid and 15N-L-glutamic acid

    Article • Canadian Journal of Chemistry, February 1969, Canadian Science Publishing

    Dr Antony John Williams

  376. Alkylidenecyclobutanes. Part III. The addition of hydrogen bromide to diphenylmethylenecyclobutane

    Article • Journal of the Chemical Society C Organic, January 1969, Royal Society of Chemistry

    Dr Antony John Williams

  377. The reaction between ethyl diazoacetate and anthracene and phenanthrene

    Article • Journal of the Chemical Society C Organic, January 1969, Royal Society of Chemistry

    Dr Antony John Williams

  378. Spectroscopic studies. Part IX. Infrared spectra and structure of some cyclobutanecarboxylic acids

    Article • Journal of the Chemical Society B Physical Organic, January 1968, Royal Society of Chemistry

    Dr Antony John Williams

  379. Low‐Energy, Large‐Angle Electron‐Impact Spectra: Helium, Nitrogen, Ethylene, and Benzene

    Article • The Journal of Chemical Physics, November 1967, American Institute of Physics

    Dr Antony John Williams

  380. Alkylidenecyclobutanes. Part II. The oxidation of benzylidenecyclobutane and of bis-(p-methoxyphenyl)methylenecyclobutane

    Article • Journal of the Chemical Society C Organic, January 1966, Royal Society of Chemistry

    Dr Antony John Williams

  381. 769. Molecular polarisability. The molar Kerr constants of n-alkyl bromides

    Article • Journal of the Chemical Society (Resumed), January 1965, Royal Society of Chemistry

    Dr Antony John Williams

  382. 768. The polarisations and apparent dipole moments of fourteen n-alkyl bromides between methyl and octadecyl in carbon tetrachloride

    Article • Journal of the Chemical Society (Resumed), January 1965, Royal Society of Chemistry

    Dr Antony John Williams

  383. Steric effects in the system

    Article • Tetrahedron, January 1965, Elsevier

    Dr Antony John Williams

  384. 113. Molecular polarisability: chlorobenzene as a solvent for the determination of molar Kerr constants of solutes

    Article • Journal of the Chemical Society (Resumed), January 1964, Royal Society of Chemistry

    Dr Antony John Williams

  385. 325. Molecular polarisability. Chloroform as a solvent for the determination of molar Kerr constants of solutes

    Article • Journal of the Chemical Society (Resumed), January 1961, Royal Society of Chemistry

    Dr Antony John Williams

  386. 24. Molecular polarisability. The anisotropy of the H—O bond in normal alcohols

    Article • Journal of the Chemical Society (Resumed), January 1960, Royal Society of Chemistry

    Dr Antony John Williams

  387. 21. The dielectric polarisations and apparent dipole moments of alcohols as solutes

    Article • Journal of the Chemical Society (Resumed), January 1960, Royal Society of Chemistry

    Dr Antony John Williams

  388. 22. Dielectric relaxation times for normal alcohols at infinite dilution in carbon tetrachloride or benzene

    Article • Journal of the Chemical Society (Resumed), January 1960, Royal Society of Chemistry

    Dr Antony John Williams

  389. 363. Molecular polarisability. The molar Kerr constants of phenol and its p-methyl, chloro-, bromo-, and nitro-derivatives

    Article • Journal of the Chemical Society (Resumed), January 1960, Royal Society of Chemistry

    Dr Antony John Williams

  390. 25. Molecular polarisability. The molar Kerr constants at infinite dilution in benzene of seven normal alcohols

    Article • Journal of the Chemical Society (Resumed), January 1960, Royal Society of Chemistry

    Dr Antony John Williams

  391. 816. The oxidation of diphenylmethylenecyclobutane

    Article • Journal of the Chemical Society (Resumed), January 1959, Royal Society of Chemistry

    Dr Antony John Williams

  392. The Near Infra-Red Absorption of Normal Alcohols and their Bromides

    Article • Australian Journal of Chemistry, January 1959, CSIRO Publishing

    Dr Antony John Williams

  393. Chapter 12. Ligand-Based Modeling of Toxicity

    Article • Royal Society of Chemistry

    Dr Antony John Williams, Dr Sean Ekins

  394. Article • American Chemical Society (ACS)

    Dr Antony John Williams

  395. Chapter 8. Covariance NMR

    Article • Royal Society of Chemistry

    Dr Antony John Williams

  396. Cosurfactant facilitated transport in reverse microemulsions

    Article • Springer Science + Business Media

    Dr Antony John Williams