A matched molecular pair (MMP) approach for selecting analogs suitable for structure activity relationship (SAR)-based read across
Cathy Lester, Gang Yan
Topics & Concepts
Computer scienceSimilarity (geometry)WorkflowData miningChemical similarityChemical spaceStructural similarityChemistryArtificial intelligenceDrug discoveryDatabaseBiochemistryImage (mathematics)Computational Drug Discovery MethodsCholinesterase and Neurodegenerative DiseasesAnalytical Chemistry and Chromatography