A New Rapid and Effective Chemistry Space Filter in Recognizing a Druglike Database

@article{Zheng2005ANR,
  title={A New Rapid and Effective Chemistry Space Filter in Recognizing a Druglike Database},
  author={Suxin Zheng and Xiaomin Luo and Gang Chen and Weiliang Zhu and Jianhua Shen and Kaixian Chen and Hualiang Jiang},
  journal={Journal of chemical information and modeling},
  year={2005},
  volume={45 4},
  pages={856-62}
}
To develop a new chemistry space filter with high efficiency and accuracy, an analysis on distributions of as many as 50 structural and physicochemical properties was carried out on both druglike and nondruglike databases, viz. MACCS-II Drug Data Report (MDDR), Comprehensive Medicinal Chemistry (CMC), and Available Chemicals Directory (ACD). Based on the analysis results, a chemistry space filter was developed that can effectively discriminate a druglike database from a nondruglike database… CONTINUE READING

Citations

Publications citing this paper.
Showing 1-10 of 18 extracted citations

Model-Free Drug-Likeness from Fragments

Journal of Chemical Information and Modeling • 2010

Similar Papers

Loading similar papers…