Efficient lipophilicity prediction of molecules employing deep-learning models
Riya Datta, Dibyendu Das, Srinjoy Das
Topics & Concepts
LipophilicityComputer scienceEmbeddingMean squared errorArtificial neural networkArtificial intelligenceRegressionConvolution (computer science)Machine learningMolecular graphGraphQuantitative structure–activity relationshipSupport vector machineAlgorithmBiological systemTheoretical computer scienceMathematicsChemistryStatisticsOrganic chemistryBiologyComputational Drug Discovery MethodsMachine Learning in Materials ScienceMetabolomics and Mass Spectrometry Studies