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Identification of chemogenomic features from drug-target interaction networks using interpretable classifiers
2012
Bioinformatics
Motivation: Drug effects are mainly caused by the interactions between drug molecules and their target proteins including primary targets and off-targets. Identification of the molecular mechanisms behind overall drug-target interactions is crucial in the drug design process. Results: We develop a classifier-based approach to identify chemogenomic features (the underlying associations between drug chemical substructures and protein domains) that are involved in drug-target interaction networks.
doi:10.1093/bioinformatics/bts412
pmid:22962471
pmcid:PMC3436839
fatcat:7dgumrgpt5g5zc4by25z6ygpzu