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Harmonised high throughput microsomal stability assay

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Integration of Ligand and Structure Based Approaches for CSAR-2014

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Critically Assessing the Predictive Power of QSAR Models for Human Liver Microsomal Stability

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Building Predictive Models inRUsing thecaretPackage

(2015) Max Kuhn   Journal of Statistical Software

Feature Selection with theBorutaPackage

(2015) Miron B. Kursa et al.   Journal of Statistical Software

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

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The discovery of AZD9164, a novel muscarinic M3 antagonist

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ChEMBL: a large-scale bioactivity database for drug discovery

(2011) A. Gaulton et al.   NUCLEIC ACIDS RESEARCH

jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints

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Using Open Source Computational Tools for Predicting Human Metabolic Stability and Additional Absorption, Distribution, Metabolism, Excretion, and Toxicity Properties

(2010) R. R. Gupta et al.   DRUG METABOLISM AND DISPOSITION

Extended-Connectivity Fingerprints

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A systematic analysis of performance measures for classification tasks

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

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WGCNA: an R package for weighted correlation network analysis

(2008) Peter Langfelder et al.   BMC BIOINFORMATICS

A Probabilistic Approach to Classifying Metabolic Stability

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Predicting human liver microsomal stability with machine learning techniques

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