Predicting aqueous solubility by QSPR modeling
Nastaran Meftahi, Michael L. Walker, Brian J. Smith
Topics & Concepts
Quantitative structure–activity relationshipSolubilitySublimation (psychology)SolvationGibbs free energyChemistryPartition coefficientAqueous solutionThermodynamicsBiological systemChromatographyOrganic chemistryMoleculeStereochemistryPsychotherapistPhysicsBiologyPsychologyComputational Drug Discovery MethodsMachine Learning in Materials ScienceProcess Optimization and Integration