Per aspera ad astra: application of Simplex QSAR approach in antiviral research

Multi-target spectral moment: QSAR for antiviral drugs vs. different viral species

(2009) Francisco J. Prado-Prado et al.   ANALYTICA CHIMICA ACTA

Computer-aided Drug Design of Novel Anti-coxsackievirus B3 Nancy Agents by Means of Hit QSAR

(2009) E. Muratov et al.   ANTIVIRAL RESEARCH

Antiviral Activity of Tetrahydro-2(1H)-Pyrimidinones and Related Compounds: Classification SAR Study

(2009) V. Kuz’min   ANTIVIRAL RESEARCH

Cheminformatics Analysis of Assertions Mined from Literature That Describe Drug-Induced Liver Injury in Different Species

(2009) Denis Fourches et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Receptor Dependent Multidimensional QSAR for Modeling Drug - Receptor Interactions

(2009) Jaroslaw Polanski   CURRENT MEDICINAL CHEMISTRY

Docking and 3D-QSAR studies of BMS-806 analogs as HIV-1 gp120 entry inhibitors

(2009) C. Teixeira et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Application of Random Forest Approach to QSAR Prediction of Aquatic Toxicity

(2009) Pavel G. Polishchuk et al.   Journal of Chemical Information and Modeling

Benchmark Data Set for in Silico Prediction of Ames Mutagenicity

(2009) Katja Hansen et al.   Journal of Chemical Information and Modeling

Consensus QSAR Modeling of Phosphor-Containing Chiral AChE Inhibitors

(2009) Victor E. Kuz'min et al.   Quantitative structure-activity relationships & combinatorial science

Hit QSAR Analysis of Anti-Coxsackievirus B3 Activity of [(Biphenyloxy)Propyl]Isoxazole Derivatives

(2008) E. Muratov et al.   ANTIVIRAL RESEARCH

QSAR Analysis of Cytotoxicity in HeLa Cells

(2008) V. Kuz’min et al.   ANTIVIRAL RESEARCH

The effect of nitroaromatics’ composition on their toxicity in vivo: Novel, efficient non-additive 1D QSAR analysis

(2008) V.E. Kuz’min et al.   CHEMOSPHERE

Use of 3D QSAR Models for Database Screening:  A Feasibility Study

(2008) Alexander Hillebrecht et al.   Journal of Chemical Information and Modeling

Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis

(2008) Hao Zhu et al.   Journal of Chemical Information and Modeling

Hierarchical QSAR technology based on the Simplex representation of molecular structure

(2008) V. E. Kuz’min et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

A Hierarchical Clustering Methodology for the Estimation of Toxicity

(2008) Todd M. Martin et al.   TOXICOLOGY MECHANISMS AND METHODS