All Stories

  1. Interpretable SMILES-based QSAR model of inhibitory activity of sirtuins 1 and 2

    Article • Combinatorial Chemistry & High Throughput Screening, September 2020, Bentham Science Publishers

    Dr Andrey A. Toropov, Dr Alla P. Toropova, Professor Virapong Prachayasittikul

  2. Medicinal Chemistry and Computational Chemistry: Mutual Influence and Harmonization

    Article • Mini-Reviews in Medicinal Chemistry, September 2020, Bentham Science Publishers

    Dr Alla P. Toropova

  3. The Monte Carlo Method as a Tool to Build up Predictive QSPR/QSAR

    Article • Current Computer - Aided Drug Design, June 2020, Bentham Science Publishers

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  4. Whether the Validation of the Predictive Potential of Toxicity Models is a Solved Task?

    Article • Current Topics in Medicinal Chemistry, December 2019, Bentham Science Publishers

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  5. Application of the Monte Carlo Method for the Prediction of Behavior of Peptides

    Article • Current Protein and Peptide Science, December 2019, Bentham Science Publishers

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  6. QSPR as a random event: solubility of fullerenes C[60] and C[70]

    Article • Fullerenes Nanotubes and Carbon Nanostructures, August 2019, Taylor & Francis

    Dr Alla P. Toropova, Dr Emilio Benfenati, Dr Andrey A. Toropov

  7. Virtual Screening of Anti-Cancer Compounds: Application of Monte Carlo Technique

    Article • Anti-Cancer Agents in Medicinal Chemistry, May 2019, Bentham Science Publishers

    Dr Andrey A. Toropov, Dr Alla P. Toropova, Dr Emilio Benfenati

  8. Idealization of correlations between optimal simplified molecular input-line entry system-based descriptors and skin sensitization

    Article • SAR and QSAR in Environmental Research, May 2019, Taylor & Francis

    Dr Andrey A. Toropov, Dr Alla P. Toropova, Dr Emilio Benfenati

  9. The index of ideality of correlation: improvement of models for toxicity to algae

    Article • Natural Product Research, October 2018, Taylor & Francis

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  10. Use of The Index of Ideality of Correlation to improve predictive potential for biochemical endpoints

    Article • Toxicology Mechanisms and Methods, July 2018, Taylor & Francis

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  11. Blood Brain Barrier and Alzheimer’s Disease: Similarity and Dissimilarity of Molecular Alerts

    Article • Current Neuropharmacology, June 2018, Bentham Science Publishers

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  12. CORAL: Monte Carlo Method to Predict Endpoints for Medical Chemistry

    Article • Mini-Reviews in Medicinal Chemistry, February 2018, Bentham Science Publishers

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  13. Improved Model for Biodegradability of Organic Compounds: The Correlation Contributions of Rings

    Article • October 2017, Springer Science + Business Media

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  14. QSAR of antimycobacterial activity of benzoxazoles by optimal SMILES-based descriptors

    Article • Medicinal Chemistry Research, August 2017, Springer Science + Business Media

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  15. CORAL Software: Analysis of Impacts of Pharmaceutical Agents Upon Metabolism via the Optimal Descriptors

    Article • Current Drug Metabolism, July 2017, Bentham Science Publishers

    Dr Alla P. Toropova

  16. Index of Ideality of Correlation: new possibilities to validate QSAR: a case study

    Article • Structural Chemistry, July 2017, Springer Science + Business Media

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  17. Developing innovative in silico models with EFSA's OpenFoodTox database

    Article • EFSA Supporting Publications, July 2017, Wiley

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  18. Prediction of gas chromatographic retention indices based on Monte Carlo method

    Article • Talanta, June 2017, Elsevier

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  19. Hybrid optimal descriptors as a tool to predict skin sensitization in accordance to OECD principles

    Article • Toxicology Letters, June 2017, Elsevier

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  20. Utilization of the Monte Carlo method to build up QSAR models for hemolysis and cytotoxicity of antimicrobial peptides

    Article • Current Drug Discovery Technologies, May 2017, Bentham Science Publishers

    Dr Alla P. Toropova, Dr. Marco Gobbi, Dr Andrey A. Toropov

  21. CORAL: Binary classifications (active/inactive) for drug-induced liver injury

    Article • Toxicology Letters, February 2017, Elsevier

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  22. Quantitative structure–activity relationship models for bee toxicity

    Article • Toxicological and Environmental Chemistry, October 2016, Taylor & Francis

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  23. The Utilization of the Monte Carlo Technique for Rational Drug Discovery

    Article • Combinatorial Chemistry & High Throughput Screening, September 2016, Bentham Science Publishers

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  24. Quasi-SMILES and nano-QFPR: The predictive model for zeta potentials of metal oxide nanoparticles

    Article • Chemical Physics Letters, September 2016, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  25. Monte Carlo-based quantitative structure-activity relationship models for toxicity of organic chemicals toDaphnia magna

    Article • Environmental Toxicology and Chemistry, July 2016, Wiley

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  26. QSPR Model for Dispersibility of Graphene in Various Solvents

    Article • Letters in Drug Design & Discovery, June 2016, Bentham Science Publishers

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  27. Evolution of Optimal Descriptors

    Article • International Journal of Quantitative Structure-Property Relationships, June 2016, IGI Global

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  28. Assessment of nano-QSPR models of organic contaminant absorption by carbon nanotubes for ecological impact studies

    Article • Materials Discovery, June 2016, Elsevier

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  29. QSAR as a Random Event: Selecting of the Molecular Structure for Potential Anti-tuberculosis Agents

    Article • Anti-Infective Agents, March 2016, Bentham Science Publishers

    Dr Alla P. Toropova

  30. QSAR model for predicting cell viability of human embryonic kidney cells exposed to SiO 2 nanoparticles

    Article • Chemosphere, February 2016, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  31. QSAR Model for Cytotoxicity of Silica Nanoparticles on Human Embryonic Kidney Cells1

    Article • Materials Today Proceedings, January 2016, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  32. Quasi-QSPR to Predict Proteins Behavior Under Various Concentrations of Drug Using Nanoconductometric Assay

    Article • NanoWorld Journal, January 2016, United Scientific Group

    Nicola Luigi Bragazzi, Dr Alla P. Toropova

  33. Quasi-SMILES for Nano-QSAR Prediction of Toxic Effect of Al2O3 Nanoparticles

    Article • Journal of Nanotoxicology and Nanomedicine, January 2016, IGI Global

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  34. CORAL: The dispersion of SWNTs in different organic solvents

    Article • December 2015, MDPI AG

    Dr Alla P. Toropova

  35. Quasi-SMILES and nano-QFAR: United model for mutagenicity of fullerene and MWCNT under different conditions

    Article • Chemosphere, November 2015, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  36. CORAL: Model for octanol/water partition coefficient

    Article • Fluid Phase Equilibria, July 2015, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  37. Use of Quasi-SMILES and Monte Carlo Optimization to Develop Quantitative Feature Property/Activity Relationships (QFPR/QFAR) for Nanomaterials

    Article • Current Topics in Medicinal Chemistry, June 2015, Bentham Science Publishers

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  38. Editorial (Thematic Issue: From Chemoinformatics to Nanoinformatics: New Tools for Drug Discovery and Nanoparticles Design in Medicinal Chemistry)

    Article • Current Topics in Medicinal Chemistry, June 2015, Bentham Science Publishers

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  39. Prediction of the Q-e parameters from structures of transfer chain agents

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

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  40. The Monte Carlo Method Based on Eclectic Data as an Efficient Tool for Predictions of Endpoints for Nanomaterials - Two Examples of Application

    Article • Combinatorial Chemistry & High Throughput Screening, April 2015, Bentham Science Publishers

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  41. Mutagenicity: QSAR - quasi-QSAR - nano-QSAR

    Article • Mini-Reviews in Medicinal Chemistry, April 2015, Bentham Science Publishers

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  42. CORAL: model for no observed adverse effect level (NOAEL)

    Article • Molecular Diversity, April 2015, Springer Science + Business Media

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  43. Quasi-QSAR for mutagenic potential of multi-walled carbon-nanotubes

    Article • Chemosphere, April 2015, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  44. QSAR Models for the Reactivation of Sarin Inhibited Acetylcholinesterase by Quaternary Pyridinium Oximes Based on Monte Carlo Method

    Article • Current Computer - Aided Drug Design, March 2015, Bentham Science Publishers

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  45. QSAR model as a random event: A case of rat toxicity

    Article • Bioorganic & Medicinal Chemistry, March 2015, Elsevier

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  46. QSAR as a random event: a case of NOAEL

    Article • Environmental Science and Pollution Research, December 2014, Springer Science + Business Media

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  47. Monte Carlo Method-Based QSAR Modeling of Penicillins Binding to Human Serum Proteins

    Article • Archiv der Pharmazie, November 2014, Wiley

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  48. Large-scale QSAR study of aromatase inhibitors using SMILES-based descriptors

    Article • Chemometrics and Intelligent Laboratory Systems, November 2014, Elsevier

    Professor Chanin Nantasenamat, Dr Andrey A. Toropov, Dr Alla P. Toropova

  49. Optimal nano-descriptors as translators of eclectic data into prediction of the cell membrane damage by means of nano metal-oxides

    Article • Environmental Science and Pollution Research, September 2014, Springer Science + Business Media

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  50. Discovery of Potential, Non-Toxic Influenza Virus Inhibitor by Computational Techniques

    Article • Molecular Informatics, July 2014, Wiley

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  51. QSAR models for 1,2,4-benzotriazines as Src inhibitors based on Monte Carlo method

    Article • Medicinal Chemistry Research, July 2014, Springer Science + Business Media

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  52. Optimal descriptor as a translator of eclectic data into endpoint prediction: Mutagenicity of fullerene as a mathematical function of conditions

    Article • Chemosphere, June 2014, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  53. QSAR Models for Anti-Malarial Activity of 4-Aminoquinolines

    Article • Current Computer - Aided Drug Design, May 2014, Bentham Science Publishers

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  54. QSAR models for HEPT derivates as NNRTI inhibitors based on Monte Carlo method

    Article • European Journal of Medicinal Chemistry, April 2014, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  55. Comprehension of drug toxicity: Software and databases

    Article • Computers in Biology and Medicine, February 2014, Elsevier

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  56. CORAL software: Prediction of carcinogenicity of drugs by means of the Monte Carlo method

    Article • European Journal of Pharmaceutical Sciences, February 2014, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  57. QSAR model for cytotoxicity of SiO2 nanoparticles on human lung fibroblasts

    Article • Journal of Nanoparticle Research, February 2014, Springer Science + Business Media

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  58. Monte Carlo Method Based QSAR Modeling of Coumarin Derivates as Potent HIV‐1 Integrase Inhibitors and Molecular Docking Studies of Selected 4‐phenyl Hydroxycoumarins

    Article • Acta Facultatis Medicae Naissensis, January 2014, De Gruyter

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  59. Building up QSAR model for toxicity of psychotropic drugs by the Monte Carlo method

    Article • Structural Chemistry, December 2013, Springer Science + Business Media

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  60. ChemInform Abstract: OCWLGI Descriptors: Theory and Praxis

    Article • ChemInform, November 2013, Wiley

    Dr Alla P. Toropova, Dr Andrey A. Toropov

  61. Optimal descriptor as a translator of eclectic information into the prediction of membrane damage by means of various TiO2 nanoparticles

    Article • Chemosphere, November 2013, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  62. In silico methods to predict drug toxicity

    Article • Current Opinion in Pharmacology, October 2013, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  63. SMILES-based quantitative structure–property relationships for half-wave potential of N-benzylsalicylthioamides

    Article • European Journal of Medicinal Chemistry, September 2013, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  64. Optimal descriptor as a translator of eclectic information into the prediction of thermal conductivity of micro-electro-mechanical systems

    Article • Journal of Mathematical Chemistry, June 2013, Springer Science + Business Media

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  65. SMILES-based quantitative structure–retention relationships for RP HPLC of 1-phenyl-5-benzylsulfanyltetrazoles

    Article • Structural Chemistry, June 2013, Springer Science + Business Media

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  66. QSAR as a random event: Modeling of nanoparticles uptake in PaCa2 cancer cells

    Article • Chemosphere, June 2013, Elsevier

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  67. OCWLGI Descriptors: Theory and Praxis

    Article • Current Computer - Aided Drug Design, June 2013, Bentham Science Publishers

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  68. QSAR models for inhibitors of physiological impact of Escherichia coli that leads to diarrhea

    Article • Biochemical and Biophysical Research Communications, March 2013, Elsevier

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  69. CORAL: QSPR model of water solubility based on local and global SMILES attributes

    Article • Chemosphere, January 2013, Elsevier

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  70. Development of QSAR models for predicting anti-HIV-1 activity using the Monte Carlo method

    Article • Open Chemistry, January 2013, De Gruyter

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  71. The definition of the molecular structure for potential anti-malaria agents by the Monte Carlo method

    Article • Structural Chemistry, December 2012, Springer Science + Business Media

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  72. Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli

    Article • Chemosphere, November 2012, Elsevier

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  73. CORAL: Models of toxicity of binary mixtures

    Article • Chemometrics and Intelligent Laboratory Systems, October 2012, Elsevier

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  74. CORAL: Binary Classifications (Active/Inactive) for Liver-Related Adverse Effects of Drugs

    Article • Current Drug Safety, September 2012, Bentham Science Publishers

    Professor Bakhtiyor Rasulev, Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  75. CORAL: Quantitative models for estimating bioconcentration factor of organic compounds

    Article • Chemometrics and Intelligent Laboratory Systems, August 2012, Elsevier

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  76. Calculation of Molecular Features with Apparent Impact on Both Activity of Mutagens and Activity of Anticancer Agents

    Article • Anti-Cancer Agents in Medicinal Chemistry, August 2012, Bentham Science Publishers

    Professor Jerzy Leszczynski, Dr Alla P. Toropova, Dr Andrey A. Toropov

  77. The average numbers of outliers over groups of various splits into training and test sets: A criterion of the reliability of a QSPR? A case of water solubility

    Article • Chemical Physics Letters, July 2012, Elsevier

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  78. QSAR modeling of endpoints for peptides which is based on representation of the molecular structure by a sequence of amino acids

    Article • Structural Chemistry, April 2012, Springer Science + Business Media

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  79. QSAR Models for Toxicity of Organic Substances to Daphnia magna Built up by Using the CORAL Freeware

    Article • Chemical Biology & Drug Design, January 2012, Wiley

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  80. CORAL: the prediction of biodegradation of organic compounds with optimal SMILES-based descriptors

    Article • Open Chemistry, January 2012, De Gruyter

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  81. SMILES-based optimal descriptors: QSAR modeling of estrogen receptor binding affinity by correlation balance

    Article • Structural Chemistry, October 2011, Springer Science + Business Media

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  82. coral Software: QSAR for Anticancer Agents

    Article • Chemical Biology & Drug Design, May 2011, Wiley

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  83. Simplified Molecular Input-Line Entry System and International Chemical Identifier in the QSAR Analysis of Styrylquinoline Derivatives as HIV-1 Integrase Inhibitors

    Article • Chemical Biology & Drug Design, March 2011, Wiley

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  84. QSAR modelling toxicity toward rats of inorganic substances by means of CORAL

    Article • Open Chemistry, January 2011, De Gruyter

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  85. Analysis of the co-evolutions of correlations as a tool for QSAR-modeling of carcinogenicity: an unexpected good prediction based on a model that seems untrustworthy

    Article • Open Chemistry, January 2011, De Gruyter

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  86. QSAR modeling of measured binding affinity for fullerene-based HIV-1 PR inhibitors by CORAL

    Article • Journal of Mathematical Chemistry, August 2010, Springer Science + Business Media

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  87. InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance

    Article • European Journal of Medicinal Chemistry, April 2010, Elsevier

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  88. QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations

    Article • European Journal of Medicinal Chemistry, April 2010, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  89. CORAL: QSPR models for solubility of [C60] and [C70] fullerene derivatives

    Article • Molecular Diversity, March 2010, Springer Science + Business Media

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  90. QSPR modeling of enthalpies of formation for organometallic compounds by SMART-based optimal descriptors

    Article • Journal of Computational Chemistry, November 2009, Wiley

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  91. Use of the international chemical identifier for constructing QSPR-model of normal boiling points of acyclic carbonyl substances

    Article • Journal of Mathematical Chemistry, July 2009, Springer Science + Business Media

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  92. Additive SMILES-Based Carcinogenicity Models: Probabilistic Principles in the Search for Robust Predictions

    Article • International Journal of Molecular Sciences, July 2009, MDPI AG

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  93. Simplified Molecular Input Line Entry System-Based Optimal Descriptors: Quantitative Structure-Activity Relationship Modeling Mutagenicity of Nitrated Polycyclic Aromatic Hydrocarbons

    Article • Chemical Biology & Drug Design, May 2009, Wiley

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  94. Erratum

    Article • Chemical Biology & Drug Design, April 2009, Wiley

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  95. QSAR Modelling for Mutagenic Potency of Heteroaromatic Amines by Optimal SMILES-based Descriptors

    Article • Chemical Biology & Drug Design, March 2009, Wiley

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  96. Additive InChI-based optimal descriptors: QSPR modeling of fullerene C 60 solubility in organic solvents

    Article • Journal of Mathematical Chemistry, January 2009, Springer Science + Business Media

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  97. SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations

    Article • Journal of Computational Chemistry, January 2009, Wiley

    Professor Jerzy Leszczynski, Dr Andrey A. Toropov, Dr Alla P. Toropova

  98. QSPR modelling of the octanol/water partition coefficient of organometallic substances by optimal SMILES-based descriptors

    Article • Open Chemistry, January 2009, De Gruyter

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  99. Nearest neighboring code and hydrogen bond index in labeled hydrogen-filled graph and graph of atomic orbitals: application to model of normal boiling points of haloalkanes

    Article • Journal of Molecular Structure THEOCHEM, December 2004, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  100. Comparison of QSAR models of anti-HIV-1 potencies based on labeled hydrogen filled graph and graph of atomic orbitals

    Article • Journal of Molecular Structure THEOCHEM, November 2003, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  101. QSPR modeling of alkanes properties based on graph of atomic orbitals

    Article • Journal of Molecular Structure THEOCHEM, October 2003, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  102. QSAR modeling of toxicity on optimization of correlation weights of Morgan extended connectivity

    Article • Journal of Molecular Structure THEOCHEM, February 2002, Elsevier

    Dr Andrey A. Toropov, Dr Alla P. Toropova

  103. 3D weighting of molecular descriptors for QSPR/QSAR by the method of ideal symmetry (MIS). 1. Application to boiling points of alkanes

    Article • Journal of Molecular Structure THEOCHEM, February 1998, Elsevier

    Dr Alla P. Toropova

  104. Quasi-SMILES for Nano-QSAR Prediction of Toxic Effect of Al2O3 Nanoparticles

    Article • IGI Global

    Dr Alla P. Toropova

  105. Quasi-SMILES for Nano-QSAR Prediction of Toxic Effect of Al2O3 Nanoparticles

    Article • IGI Global

    Dr Alla P. Toropova, Dr Andrey A. Toropov