Applicability Domain Characterization for Machine Learning QSAR Models
Zhongyu Wang, Jingwen Chen
Topics & Concepts
Quantitative structure–activity relationshipApplicability domainCharacterization (materials science)Domain (mathematical analysis)Computer scienceArtificial intelligenceMachine learningMathematicsMaterials scienceNanotechnologyMathematical analysisComputational Drug Discovery MethodsMachine Learning in Materials ScienceMetabolomics and Mass Spectrometry Studies