Updating the portfolio of physicochemical descriptors related to permeability in the beyond the rule of 5 chemical space
Giuseppe Ermondi, Maura Vallaro, Gilles H. Goetz, Marina Shalaeva, Giulia Caron
Topics & Concepts
LipophilicityMolecular descriptorChemistryChemical spaceDrug discoveryPartition coefficientPolarity (international relations)Biological systemQuantitative structure–activity relationshipChromatographyOrganic chemistryStereochemistryBiochemistryCellBiologyComputational Drug Discovery MethodsChemical Synthesis and AnalysisReceptor Mechanisms and Signaling