Selecting Relevant Descriptors for Classification by Bayesian Estimates: A Comparison with Decision Trees and Support Vector Machines Approaches for Disparate Data Sets

CypScore: Quantitative Prediction of Reactivity toward Cytochromes P450 Based on Semiempirical Molecular Orbital Theory

(2009) Matthias Hennemann et al.   ChemMedChem

Classification of Cytochrome P450Activities Using Machine Learning Methods

(2009) Felix Hammann et al.   MOLECULAR PHARMACEUTICS

Interpretable correlation descriptors for quantitative structure-activity relationships

(2009) Benson M Spowage et al.   Journal of Cheminformatics

Similarity Based Descriptors - Useful for Classification of Substrates of the Human Multidrug Transporter P-Glycoprotein?

(2009) Rita Schwaha et al.   Quantitative structure-activity relationships & combinatorial science

In Silico Prediction of Drug Properties

(2008) M. Hutter   CURRENT MEDICINAL CHEMISTRY

Gradual in Silico Filtering for Druglike Substances

(2008) Nadine Schneider et al.   Journal of Chemical Information and Modeling

Naïve Bayes Classification Using 2D Pharmacophore Feature Triplet Vectors

(2008) Paul Watson   Journal of Chemical Information and Modeling

Evaluation of descriptors and classification schemes to predict cytochrome substrates in terms of chemical information

(2008) John H. Block et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

On the interpretation and interpretability of quantitative structure–activity relationship models

(2008) Rajarshi Guha   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN