Validation of a computational procedure for the calculation of the polar surface area (PSA) of organic compounds.
D000465:Algorithms; D018938:Caco-2 Cells; D002625:Chemistry, Organic / Q000706:statistics & numerical data*; D002627:Chemistry, Physical / Q000706:statistics & numerical data*; D006801:Humans; D008958:Models, Molecular; D009930:Organic Chemicals / Q000737:chemistry*; D010539:Permeability; D004364:Pharmaceutical Preparations / Q000737:chemistry; D012044:Regression Analysis; D013499:Surface Properties
D009930:Organic Chemicals; D004364:Pharmaceutical Preparations