Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds non-drug-like compounds and natural compounds from traditional Chinese medicines

摘要

BackgroundIn this work, we analyzed and compared the distribution profiles of a wide variety of molecular properties for three compound classes: drug-like compounds in MDL Drug Data Report (MDDR), non-drug-like compounds in Available Chemical Directory (ACD), and natural compounds in Traditional Chinese Medicine Compound Database (TCMCD).