The use of machine learning and nonlinear statistical tools for ADME prediction

Fuzzy Kernel Clustering of RNA Secondary Structure Ensemble Using a Novel Similarity Metric

(2012) Qi Liu et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Asymmetric bagging and feature selection for activities prediction of drug molecules

(2008) Guo-Zheng Li et al.   BMC BIOINFORMATICS

SiteSeek: Post-translational modification analysis using adaptive locality-effective kernel methods and new profiles

(2008) Paul D Yoo et al.   BMC BIOINFORMATICS

Cancer classification using Rotation Forest

(2008) Kun-Hong Liu et al.   COMPUTERS IN BIOLOGY AND MEDICINE

Recent Advances in the In Silico Modelling of UDP Glucuronosyltransferase Substrates

(2008) Michael Sorich et al.   CURRENT DRUG METABOLISM

Novel Hierarchical Classification and Visualization Method for Multiobjective Optimization of Drug Properties:  Application to Structure−Activity Relationship Analysis of Cytochrome P450 Metabolism

(2008) Fumiyoshi Yamashita 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

Automatic QSAR modeling of ADME properties: blood–brain barrier penetration and aqueous solubility

(2008) Olga Obrezanova et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Straightforward Recursive Partitioning Model for Discarding Insoluble Compounds in the Drug Discovery Process

(2008) Claudia Lamanna et al.   JOURNAL OF MEDICINAL CHEMISTRY

In SilicoFunctional Profiling of Small Molecules and Its Applications

(2008) Tomohiro Sato et al.   JOURNAL OF MEDICINAL CHEMISTRY

Knowledge Based Prediction of Ligand Binding Modes and Rational Inhibitor Design for Kinase Drug Discovery

(2008) Arup K. Ghose et al.   JOURNAL OF MEDICINAL CHEMISTRY

SAKM: Self-adaptive kernel machine A kernel-based algorithm for online clustering

(2008) Habiboulaye Amadou Boubacar et al.   NEURAL NETWORKS

QSAR Modeling of the Blood–Brain Barrier Permeability for Diverse Organic Compounds

(2008) Liying Zhang et al.   PHARMACEUTICAL RESEARCH

Predicting human liver microsomal stability with machine learning techniques

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