Computational tools and resources for metabolism-related property predictions. 2. Application to prediction of half-life time in human liver microsomes

Computational tools and resources for metabolism-related property predictions. 1. Overview of publicly available (free and commercial) databases and software

(2012) Megan L Peach et al.   Future Medicinal Chemistry

Synthesis, antifungal activity and QSAR study of 2-arylhydroxynitroindoles

(2011) Galina V. Kokurkina et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

QSAR Modelling of Rat Acute Toxicity on the Basis of PASS Prediction

(2011) Alexey Lagunin et al.   Molecular Informatics

Why QSAR Fails: An Empirical Evaluation Using Conventional Computational Approach

(2011) Jianping Huang et al.   MOLECULAR PHARMACEUTICS

Development of QSAR models for microsomal stability: identification of good and bad structural features for rat, human and mouse microsomal stability

(2009) Yongbo Hu et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

QNA-based ‘Star Track’ QSAR approach

(2009) D.A. Filimonov et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Applications of High Throughput Microsomal Stability Assay in Drug Discovery

(2008) Li Di et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 670 Drug Compounds

(2008) R. S. Obach et al.   DRUG METABOLISM AND DISPOSITION

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

A Probabilistic Approach to Classifying Metabolic Stability

(2008) Anton Schwaighofer et al.   Journal of Chemical Information and Modeling

Mold2, Molecular Descriptors from 2D Structures for Chemoinformatics and Toxicoinformatics

(2008) Huixiao Hong et al.   Journal of Chemical Information and Modeling

Predicting human liver microsomal stability with machine learning techniques

(2007) Yojiro Sakiyama et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING