Identification of chemogenomic features from drug-target interaction networks using interpretable classifiers

Predicting drug side-effect profiles: a chemical fragment-based approach

(2011) Edouard Pauwels et al.   BMC BIOINFORMATICS

Extracting Sets of Chemical Substructures and Protein Domains Governing Drug-Target Interactions

(2011) Yoshihiro Yamanishi et al.   Journal of Chemical Information and Modeling

Analysis of multiple compound-protein interactions reveals novel bioactive molecules

(2011) H. Yabuuchi et al.   Molecular Systems Biology

Mining Significant Substructure Pairs for Interpreting Polypharmacology in Drug-Target Network

(2011) Ichigaku Takigawa et al.   PLoS One

A Computational Approach to Finding Novel Targets for Existing Drugs

(2011) Yvonne Y. Li et al.   PLoS Computational Biology

Docking and chemoinformatic screens for new ligands and targets

(2009) Peter Kolb et al.   CURRENT OPINION IN BIOTECHNOLOGY

Extraction and Analysis of Chemical Modification Patterns in Drug Development

(2009) Daichi Shigemizu et al.   Journal of Chemical Information and Modeling

PubChem as a Source of Polypharmacology

(2009) Bin Chen et al.   Journal of Chemical Information and Modeling

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

The Universal Protein Resource (UniProt) in 2010

(2009)   NUCLEIC ACIDS RESEARCH

Harvesting Candidate Genes Responsible for Serious Adverse Drug Reactions from a Chemical-Protein Interactome

(2009) Lun Yang et al.   PLoS Computational Biology

Detection of 3D atomic similarities and their use in the discrimination of small molecule protein-binding sites

(2008) R. Najmanovich et al.   BIOINFORMATICS

Chemical substructures that enrich for biological activity

(2008) Justin Klekota et al.   BIOINFORMATICS

Protein-ligand interaction prediction: an improved chemogenomics approach

(2008) Laurent Jacob et al.   BIOINFORMATICS

Prediction of drug-target interaction networks from the integration of chemical and genomic spaces

(2008) Y. Yamanishi et al.   BIOINFORMATICS

Developing and validating predictive decision tree models from mining chemical structural fingerprints and high–throughput screening data in PubChem

(2008) Lianyi Han et al.   BMC BIOINFORMATICS