Can deep learning algorithms enhance the prediction of solute descriptors for linear solvation energy relationship approaches?
Nadin Ulrich, Andrea Ebert
Topics & Concepts
Partition coefficientSolvationQuantitative structure–activity relationshipChemistryMolecular descriptorArtificial neural networkPartition (number theory)Biological systemArtificial intelligenceComputer scienceMoleculeMathematicsChromatographyOrganic chemistryStereochemistryBiologyCombinatoricsComputational Drug Discovery MethodsAnalytical Chemistry and ChromatographyMetabolomics and Mass Spectrometry Studies