Comprehensive Medicinal Chemistry database

The Comprehensive Medicinal Chemistry database is available from MDL Information Systems, Inc., http //www.mdli.com/products/ knowledge/medicinaLchem/index.jsp. 

Comprehensive Medicinal Chemistry Database, 94.1 Distributed by MDL Information Systems San Leandro, CA. 

Most prediction tools for druglikeness use the MDL Available Chemicals Directory (ACD) [89] as a list of nondrugs and one of three databases as a list of drugs MDL Drug Data Report (MDDR) [89], MDL Comprehensive Medicinal Chemistry (CMC) [89], or Derwent World Drug Index (WDI) [90]. 

MDDR is a database derived principally from the patent literature, journals, and meetings. It contains the structures of approximately 130000 compounds of which approximately 1000 are launched drugs. WDI is a Derwent database of approximately 73 000 marketed drugs and development compounds, drawn from journals, scientific meetings, and approved name lists. CMC is a list of about 8400 compounds taken from the Drug Compendium in Pergamon s Comprehensive Medicinal Chemistry [94] and also from the United States Approved Names list. 

Comprehensive Medicinal Chemistry (CDC) database, version CDC3D98.1, MDL Information Systems, San Leandro, CA, US. 

Comprehensive Medicinal Chemistry (CMC-3D) Database, MDL ISIS/HOST software. CMC is an updated electronic version of Comprehensive Medicinal Chemistry, Pergamon Press 1990, Vol. 6, http //www.mdl.com/ (2003). 

MDL Comprehensive Medicinal Chemistry. 1900-. San Leandro, CA Elsevier MDL. Annual. Information is derived from the Drug Compendium in Pergamon s Comprehensive Medicinal Chemistry. The database provides 3D models and biochemical properties for over 8400 pharmaceutical compounds. Available online. 

M. Olah, T.I. Oprea, Bioactivity databases, in Comprehensive Medicinal Chemistry II, (Eds. J. Taylor,... 

JB (eds.). Comprehensive Medicinal Chemistry, vol. 6 pp. 236-965 (1990). The bulk (516) of the pKa values are from the database of the Medicinal Chemistry Project (A. J. Leo, Director, Medicinal Chemistry Project, Chemistry Dept., Pomona College, Claremont, CA 91711 USA) at Pomona College. These were augmented by several values obtained from "Clarke s Isolation and Identification of Drugs" and "The Merck Index", 10th Edn. Foye Foye WO, Lemke TL and Williams DA, Principles of Medicinal... 

Olah, M., Oprea, T.I. Bioactivity Databases. In Triggle, D., Taylor, editors. Comprehensive Medicinal Chemistry II, vol. 3. Oxford Elsevier 2006, pp. 293-313. 

Comprehensive Medicinal Chemistry (CMC), Molecular Design Limited, San Leandro, CA 94577. An electronic database version of the Drug Compendium that is Volume 6 of Cow-prehenswe Medicinal Chemistry published by Pergamon Press in March 1990. Contains drugs already on the market. 

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