Future Medicinal Chemistry · 2014 · 10 citations · 36 references
PharmacyBioinformaticsDrug DesignDrug DiscoveryDrug InformationChemical Library DesignComputational Drug DiscoveryDisease Indication PrioritizationDrug Information ResourcesCompound PrioritizationCompound RepositioningDrug Knowledge BasesDrug Knowledge EngineeringEarly-stage Drug Discovery OptimizationEnrichment AnalysisLibrary Enrichment AnalysisRepositioning
Despite famous serendipitous drug repositioning success stories, systematic projects have not yet delivered the expected results. However, repositioning technologies are gaining ground in different phases of routine drug development, together with new adaptive strategies. We demonstrate the power of the compound information pool, the ever-growing heterogeneous information repertoire of approved drugs and candidates as an invaluable catalyzer in this transition. Systematic, computational utilization of this information pool for candidates in early phases is an open research problem; we propose a novel application of the enrichment analysis statistical framework for fusion of this information pool, specifically for the prediction of indications. Pharmaceutical consequences are formulated for a systematic and continuous knowledge recycling strategy, utilizing this information pool throughout the drug-discovery pipeline.
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ChEMBL: a large-scale bioactivity database for drug discovery
Anna Gaulton, Louisa J. Bellis, A. Patrícia Bento et al. · Nucleic Acids Research · 2011 · 4.5K citations · Full text
DrugBank: a knowledgebase for drugs, drug actions and drug targets
David S. Wishart, Craig Knox, An Chi Guo et al. · Nucleic Acids Research · 2007 · 2.9K citations · Full text