Identification of structural features in chemicals associated with cancer drug response: a systematic data-driven analysis

A computational bioinformatics analysis of gene expression identifies candidate agents for prostate cancer

(2013) D. Wen et al.   ANDROLOGIA

Predicting modes of toxic action from chemical structure

(2013) Christine L. Russom et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Finding the targets of a drug by integration of gene expression data with a protein interaction network

(2013) Griet Laenen et al.   Molecular BioSystems

Niche-based screening identifies small-molecule inhibitors of leukemia stem cells

(2013) Kimberly A Hartwell et al.   Nature Chemical Biology

Machine Learning Prediction of Cancer Cell Sensitivity to Drugs Based on Genomic and Chemical Properties

(2013) Michael P. Menden et al.   PLoS One

Integrated Analysis of Drug-Induced Gene Expression Profiles Predicts Novel hERG Inhibitors

(2013) Joseph J. Babcock et al.   PLoS One

Comprehensive data-driven analysis of the impact of chemoinformatic structure on the genome-wide biological response profiles of cancer cells to 1159 drugs

(2012) Suleiman A Khan et al.   BMC BIOINFORMATICS

Novel Computational Approaches to Polypharmacology as a Means to Define Responses to Individual Drugs

(2011) Lei Xie et al.   Annual Review of Pharmacology and Toxicology

 12-prostaglandin J3, an omega-3 fatty acid-derived metabolite, selectively ablates leukemia stem cells in mice

(2011) S. Hegde et al.   BLOOD

Predicting Drug-Induced Hepatotoxicity Using QSAR and Toxicogenomics Approaches

(2011) Yen Low et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Drug discovery in the age of systems biology: the rise of computational approaches for data integration

(2011) Murat Iskar et al.   CURRENT OPINION IN BIOTECHNOLOGY

An Algorithmic Framework for Predicting Side Effects of Drugs

(2011) Nir Atias et al.   JOURNAL OF COMPUTATIONAL BIOLOGY

Chemical Structural Novelty: On-Targets and Off-Targets

(2011) Emmanuel R. Yera et al.   JOURNAL OF MEDICINAL CHEMISTRY

PREDICT: a method for inferring novel drug indications with application to personalized medicine

(2011) A. Gottlieb et al.   Molecular Systems Biology

Investigating the correlations among the chemical structures, bioactivity profiles and molecular targets of small molecules

(2010) Tiejun Cheng et al.   BIOINFORMATICS

The Connectivity Map Links Iron Regulatory Protein-1-Mediated Inhibition of Hypoxia-Inducible Factor-2a Translation to the Anti-inflammatory 15-deoxy- 12,14-Prostaglandin J2

(2010) M. Zimmer et al.   CANCER RESEARCH

Extended-Connectivity Fingerprints

(2010) David Rogers et al.   Journal of Chemical Information and Modeling

Virtual screening: an endless staircase?

(2010) Gisbert Schneider   NATURE REVIEWS DRUG DISCOVERY

Discovery of drug mode of action and drug repositioning from transcriptional responses

(2010) F. Iorio et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Drug-Induced Regulation of Target Expression

(2010) Murat Iskar et al.   PLoS Computational Biology

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

Development and Validation of AMANDA, a New Algorithm for Selecting Highly Relevant Regions in Molecular Interaction Fields

(2008) Ángel Durán et al.   Journal of Chemical Information and Modeling