Dr Antreas Afantitis

Nanoinformatics: Artificial Intelligence and Nanotechnology in the New Decade

• Combinatorial Chemistry & High Throughput Screening
• March 2020

MS-275 Chemical Analogues Promote Hemoglobin Production and Erythroid Differentiation o...

• Hemoglobin
• March 2019

A nanoinformatics decision support tool for the virtual screening of gold nanoparticle ...

• Nanotoxicology
• September 2018

Current Status and Future Prospects of Small–molecule Protein–protein Interaction (PPI)...

• Current Topics in Medicinal Chemistry
• July 2018

Aqueous Solubility Enhancement for Bioassays of Insoluble Inhibitors and QSPR Analysis:...

• SLAS DISCOVERY Advancing the Science of Drug Discovery
• June 2017

Searching for Novel Janus Kinase-2 Inhibitors Using a Combination of Pharmacophore Mode...

• Mini-Reviews in Medicinal Chemistry
• January 2017

Development of a Predictive Pharmacophore Model and a 3D-QSAR Study for an in silico Sc...

• Mini-Reviews in Medicinal Chemistry
• January 2017

Computer Aided Drug Design Approaches for Identification of Novel Autotaxin (ATX) Inhib...

• Current Medicinal Chemistry
• June 2016

Editorial: Towards Open Access for Cheminformatics

• Combinatorial Chemistry & High Throughput Screening
• April 2016

Open-Source Chemoinformatics Software

• January 2016

Open Source Chemoinformatics Software including KNIME Analytics Platform

• January 2016

A Risk Assessment Tool for the Virtual Screening of Metal Oxide Nanoparticles through E...

• Current Topics in Medicinal Chemistry
• June 2015

Searching for anthranilic acid-based thumb pocket 2 HCV NS5B polymerase inhibitors thro...

• Journal of Enzyme Inhibition and Medicinal Chemistry
• June 2015

Editorial (Thematic Issue: Advances in Cheminformatics: Drug Discovery, Computational T...

• Combinatorial Chemistry & High Throughput Screening
• April 2015

Rational Drug Design Paradigms: The Odyssey for Designing Better Drugs

• Combinatorial Chemistry & High Throughput Screening
• April 2015

Editorial (Thematic Issue: Advances in Cheminformatics: Drug Discovery, Computational T...

• Combinatorial Chemistry & High Throughput Screening
• April 2015

Meet our Editorial Board Members

• Combinatorial Chemistry & High Throughput Screening
• April 2015

Exploiting ChEMBL database to identify indole analogs as HCV replication inhibitors

• Methods
• January 2015

Stability and binding effects of silver(I) complexes at lipoxygenase-1

• Journal of Enzyme Inhibition and Medicinal Chemistry
• November 2014

Editorial

• Combinatorial Chemistry & High Throughput Screening
• June 2014

Antiproliferative novel isoxazoles: Modeling, virtual screening, synthesis, and bioacti...

• European Journal of Medicinal Chemistry
• June 2014

Enalos InSilicoNano platform: an online decision support tool for the design and virtua...

• RSC Advances
• January 2014

Editorial

• Combinatorial Chemistry & High Throughput Screening
• November 2013

Identification of putative estrogen receptor-mediated endocrine disrupting chemicals us...

• Toxicology and Applied Pharmacology
• October 2013

Enalos KNIME nodes: Exploring corrosion inhibition of steel in acidic medium

• Chemometrics and Intelligent Laboratory Systems
• April 2013

Rational design, efficient syntheses and biological evaluation of N,N′-symmetrically bi...

• European Journal of Medicinal Chemistry
• April 2013

Comparative Binding Effects of Aspirin and Anti-Inflammatory Cu Complex in the Active S...

• Journal of Chemical Information and Computer Sciences
• December 2012

Comparative study of the AT1 receptor prodrug antagonist candesartan cilexetil with oth...

• Biochimica et Biophysica Acta (BBA) - Biomembranes
• December 2012

Molecular Modeling on Pyrimidine-Urea Inhibitors of TNF-α Production: An Integrated App...

• Journal of Chemical Information and Computer Sciences
• March 2012

Ligand and Structure Based Virtual Screening Strategies for Hit-Finding and Optimizatio...

• Current Medicinal Chemistry
• June 2011

Ligand - based virtual screening procedure for the prediction and the identification of...

• European Journal of Medicinal Chemistry
• February 2011

Functionalized 4-Hydroxy Coumarins: Novel Synthesis, Crystal Structure and DFT Calculat...

• Molecules
• January 2011

In Silico Exploration for Identifying Structure-Activity Relationship of MEK Inhibition...

• Chemical Biology & Drug Design
• October 2010

Collaborative development of predictive toxicology applications

• Journal of Cheminformatics
• August 2010

Synthesis and evaluation of the antioxidant and anti-inflammatory activity of novel cou...

• European Journal of Medicinal Chemistry
• July 2009

A combined LS-SVM & MLR QSAR workflow for predicting the inhibition of CXCR3 receptor b...

• Molecular Diversity
• May 2009

Predictive QSAR workflow for the in silico identification and screening of novel HDAC i...

• Molecular Diversity
• February 2009

A novel QSAR model for predicting the inhibition of CXCR3 receptor by 4-N-aryl-[1,4] di...

• European Journal of Medicinal Chemistry
• February 2009

Development and Evaluation of a QSPR Model for the Prediction of Diamagnetic Susceptibi...

• QSAR & Combinatorial Science
• April 2008

Identification of a series of novel derivatives as potent HCV inhibitors by a ligand-ba...

• Bioorganic & Medicinal Chemistry
• December 2007

Design and Synthesis of Novel Quinolinone-3-aminoamides and Their α-Lipoic Acid Adducts...

• Journal of Medicinal Chemistry
• May 2007

Optimization of biaryl piperidine and 4-amino-2-biarylurea MCH1 receptor antagonists us...

• Journal of Computer-Aided Molecular Design
• March 2007

A Novel QSAR Model for Evaluating and Predicting the Inhibition Activity of Dipeptidyl ...

• QSAR & Combinatorial Science
• October 2006

A novel QSAR model for predicting induction of apoptosis by 4-aryl-4H-chromenes

• Bioorganic & Medicinal Chemistry
• October 2006

A novel simple QSAR model for the prediction of anti-HIV activity using multiple linear...

• Molecular Diversity
• August 2006

A Novel RBF Neural Network Training Methodology to Predict Toxicity to Vibrio Fischeri

• Molecular Diversity
• June 2006

A novel QSPR model for predicting θ (lower critical solution temperature) in polymer so...

• Journal of Molecular Modeling
• May 2006

Prediction of intrinsic viscosity in polymer–solvent combinations using a QSPR model

• Polymer
• April 2006

QSAR study on para-substituted aromatic sulfonamides as carbonic anhydrase II inhibitor...

• Bioorganic & Medicinal Chemistry
• February 2006

Investigation of substituent effect of 1-(3,3-diphenylpropyl)-piperidinyl phenylacetami...

• Journal of Computer-Aided Molecular Design
• February 2006

Prediction of toxicity using a novel RBF neural network training methodology

• Journal of Molecular Modeling
• November 2005

Prediction of high weight polymers glass transition temperature using RBF neural networks

• Journal of Molecular Structure THEOCHEM
• March 2005

Novel Short-Step Synthesis of Functionalized γ-Phenyl-β-hydroxybutenoates and Their Cyc...

• ChemInform
• January 2005

Novel Short-Step Synthesis of Functionalized γ-Phenyl-β-hydroxybutenoates and their Cyc...

• Synthesis
• July 2004

Development of nonlinear quantitative structure-activity relationships using rbf networ...

• January 2004

Cyclisation of Novel Amino Oxo Esters to Tetramic Acids− Density Functional Theory Stud...

• European Journal of Organic Chemistry
• December 2003

Quantitative Nanostructure-Activity Relationship Models for the Risk Assessment of Nano...