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A deep learning approach for the blind logP prediction in SAMPL6 challenge

Samarjeet Prasad, Bernard R. Brooks

2020Journal of Computer-Aided Molecular Design35 citationsDOIOpen Access PDF

Topics & Concepts

Partition coefficientLipophilicityComputer scienceLogarithmArtificial neural networkPartition (number theory)Artificial intelligenceMean squared errorDeep learningMachine learningMathematicsChemistryStatisticsChromatographyStereochemistryMathematical analysisCombinatoricsComputational Drug Discovery MethodsMachine Learning in Materials ScienceAnalytical Chemistry and Chromatography
A deep learning approach for the blind logP prediction in SAMPL6 challenge | Litcius