Development of predictive QSAR models for the substrates/inhibitors of OATP1B1 by deep neural networks
Chunshan Gui, Ying Li, Taotao Peng
Topics & Concepts
Quantitative structure–activity relationshipApplicability domainIn silicoArtificial neural networkTest setGeneralizationTraining setArtificial intelligenceMolecular descriptorMachine learningComputer scienceChemistryMathematicsBiochemistryGeneMathematical analysisDrug Transport and Resistance MechanismsComputational Drug Discovery MethodsHIV/AIDS drug development and treatment