Efficient discovery of responses of proteins to compounds using active learning

Efficient Modeling and Active Learning Discovery of Biological Responses

(2013) Armaghan W. Naik et al.   PLoS One

Automated design of ligands to polypharmacological profiles

(2012) Jérémy Besnard et al.   NATURE

An active role for machine learning in drug development

(2011) Robert F Murphy   Nature Chemical Biology

Automated Discovery of Novel Drug Formulations Using Predictive Iterated High Throughput Experimentation

(2010) Filippo Caschera et al.   PLoS One

A novel method for mining highly imbalanced high-throughput screening data in PubChem

(2009) Qingliang Li et al.   BIOINFORMATICS

Predicting and understanding the stability of G-quadruplexes

(2009) Oliver Stegle et al.   BIOINFORMATICS

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

Predicting Positive p53 Cancer Rescue Regions Using Most Informative Positive (MIP) Active Learning

(2009) Samuel A. Danziger et al.   PLoS Computational Biology

Virtual Screening System for Finding Structurally Diverse Hits by Active Learning

(2008) Yukiko Fujiwara et al.   Journal of Chemical Information and Modeling