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

@inproceedings{Shen2012DruglikenessAO,
  title={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},
  author={Mingyun Shen and Sheng Tian and Youyong Li and Qian Li and Xiaojie Xu and Junmei Wang and Tingjun Hou},
  booktitle={J. Cheminformatics},
  year={2012}
}
UNLABELLED BACKGROUND 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 Directory (ACD), and natural compounds in Traditional Chinese Medicine Compound Database (TCMCD). RESULTS The comparison of the property distributions suggests that, when all compounds in MDDR, ACD and TCMCD with molecular weight lower… CONTINUE READING