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COSMO-RS predictions of logP in the SAMPL7 blind challenge

Judith Warnau, Karin Wichmann, Jens Reinisch

2021Journal of Computer-Aided Molecular Design31 citationsDOI

Topics & Concepts

TautomerCOSMO-RSMean squared errorContext (archaeology)Root mean squareRange (aeronautics)Partition (number theory)Absolute deviationPartition coefficientComputer scienceStatisticsMathematicsChemistryStereochemistryCombinatoricsPhysicsOrganic chemistryMaterials scienceCatalysisPaleontologyIonic liquidQuantum mechanicsBiologyComposite materialComputational Drug Discovery MethodsAnalytical Chemistry and ChromatographyCrystallography and molecular interactions
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