A Simple Method to Improve the Odds in Finding 'Lead-Like' Compounds from Chemical Libraries
Author:
Affiliation:
1. Tokai University School of Medicine
2. Computational Science Department, Science & Technology Systems Division, Ryoka Systems Inc.
Publisher
Pharmaceutical Society of Japan
Subject
Drug Discovery,General Chemistry,General Medicine
Link
http://www.jstage.jst.go.jp/article/cpb/55/7/55_7_980/_pdf
Reference9 articles.
1. 1) “The Merck Index,” 13th ed, Merck & Co. Inc., Whitehouse Station, 2001.
2. 2) “Comprehensive Medicinal Chemistry,” Elsevier MDL, San Ramon, U.S.A., 2003; http://www.mdli.com/
3. 3) Pharmacast data, Technomics Inc., Tokyo, Japan, 2005.
4. Clustering of Large Databases of Compounds: Using the MDL “Keys” as Structural Descriptors
5. A widely applicable set of descriptors
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