QSAR analysis of the toxicity of nitroaromatics inTetrahymena pyriformis: structural factors and possible modes of action

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

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics

Canonical Measure of Correlation ( CMC ) and Canonical Measure of Distance ( CMD ) between sets of data. Part 1. Theory and simple chemometric applications

(2009) R. Todeschini et al.   ANALYTICA CHIMICA ACTA

Consensus QSAR Modeling of Phosphor-Containing Chiral AChE Inhibitors

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

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

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

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

Hierarchical QSAR technology based on the Simplex representation of molecular structure

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