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

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

<p>Abstract</p> <p>Background</p> <p>In 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...

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Bibliographic Details
Main Authors: Shen Mingyun, Tian Sheng, Li Youyong, Li Qian, Xu Xiaojie, Wang Junmei, Hou Tingjun
Format: Article
Language:English
Published: BMC 2012-11-01
Series:Journal of Cheminformatics
Subjects:
Drug-likeness
Traditional Chinese medicines
Principal component analysis (PCA)
Property distribution
Molecular properties
Online Access:http://www.jcheminf.com/content/4/1/31

Internet

http://www.jcheminf.com/content/4/1/31

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