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Development of predictive QSAR models for the substrates/inhibitors of OATP1B1 by deep neural networks

Chunshan Gui, Ying Li, Taotao Peng

2023Toxicology Letters14 citationsDOI

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
Development of predictive QSAR models for the substrates/inhibitors of OATP1B1 by deep neural networks | Litcius