Existing and Developing Approaches for QSAR Analysis of Mixtures

Efficient discovery of anti-inflammatory small-molecule combinations using evolutionary computing

(2011) Ben G Small et al.   Nature Chemical Biology

PubChem3D: a new resource for scientists

(2011) Evan E Bolton et al.   Journal of Cheminformatics

Grading the Severity of Drug-Drug Interactions in the Intensive Care Unit: A Comparison Between Clinician Assessment and Proprietary Database Severity Rankings

(2010) Pamela L Smithburger et al.   ANNALS OF PHARMACOTHERAPY

QSAR Analysis of Poliovirus Inhibition By Dual Combinations of Antivirals

(2010) Eugene N. Muratov et al.   ANTIVIRAL RESEARCH

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

(2010) Eugene N Muratov et al.   Future Medicinal Chemistry

QSAR analysis of [(biphenyloxy)propyl]isoxazoles: agents against coxsackievirus B3

(2010) Eugene N Muratov et al.   Future Medicinal Chemistry

Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

(2010) Denis Fourches et al.   Journal of Chemical Information and Modeling

Characterization of Mixtures. Part 2: QSPR Models for Prediction of Excess Molar Volume and Liquid Density Using Neural Networks

(2010) Subhash Ajmani  et al.   Molecular Informatics

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics

Increasing of the Aminoglicosyde Antibiotic Activity Against a Multidrug-Resistant E. coli by Turnera ulmifolia L. and Chlorpromazine

(2009) H. D. M. Coutinho et al.   Biological Research for Nursing

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR)

(2009) J.C. Dearden et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Consensus QSAR Modeling of Phosphor-Containing Chiral AChE Inhibitors

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

Oseltamivir-Ribavirin Combination Therapy for Highly Pathogenic H5N1 Influenza Virus Infection in Mice

(2008) N. A. Ilyushina et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

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

ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors

(2008) Alexandre Varnek et al.   Current Computer-Aided Drug Design

Critical Assessment of QSAR Models of Environmental Toxicity againstTetrahymena pyriformis:Focusing on Applicability Domain and Overfitting by Variable Selection

(2008) Igor V. Tetko 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

Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening

(2008) Jui-Hua Hsieh et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study

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

QSAR: dead or alive?

(2008) Arthur M. Doweyko   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Hierarchical QSAR technology based on the Simplex representation of molecular structure

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

Quantitative structure-activity relationships for joint toxicity of substituted phenols and anilines to Scenedesmus obliquus

(2008) Chao WANG et al.   JOURNAL OF ENVIRONMENTAL SCIENCES

Characterization of Mixtures Part 1: Prediction of Infinite-Dilution Activity Coefficients Using Neural Network-Based QSPR Models

(2008) Subhash Ajmani et al.   Quantitative structure-activity relationships & combinatorial science

Are the Chemical Structures in Your QSAR Correct?

(2008) Douglas Young et al.   Quantitative structure-activity relationships & combinatorial science