Prediction models with multiple machine learning algorithms for POPs: The calculation of PDMS-air partition coefficient from molecular descriptor
Tengyi Zhu, Cuicui Tao
Topics & Concepts
Applicability domainQuantitative structure–activity relationshipMolecular descriptorRobustness (evolution)PredictabilityPartition coefficientSupport vector machineComputer scienceCross-validationPartition (number theory)Artificial intelligenceMachine learningBiological systemAlgorithmMathematicsData miningChemistryStatisticsChromatographyBiochemistryGeneBiologyCombinatoricsComputational Drug Discovery MethodsAnalytical Chemistry and ChromatographyChemistry and Chemical Engineering