Document Detail


Computational methods in molecular diversity and combinatorial chemistry.
MedLine Citation:
PMID:  9691077     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
Molecular diversity, combinatorial chemistry and automated synthesis are helping usher in a new age in medicinal chemistry. The tools and practices of computational chemistry and molecular modeling are rising to the challenges and opportunities presented by the current trends in drug discovery and design. Recent advances include a number of new and meaningful measures of molecular diversity and the use of genetic algorithms to help design diverse libraries.
Authors:
M G Bures; Y C Martin
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Publication Detail:
Type:  Journal Article; Review    
Journal Detail:
Title:  Current opinion in chemical biology     Volume:  2     ISSN:  1367-5931     ISO Abbreviation:  Curr Opin Chem Biol     Publication Date:  1998 Jun 
Date Detail:
Created Date:  1998-10-30     Completed Date:  1998-10-30     Revised Date:  2009-08-25    
Medline Journal Info:
Nlm Unique ID:  9811312     Medline TA:  Curr Opin Chem Biol     Country:  ENGLAND    
Other Details:
Languages:  eng     Pagination:  376-80     Citation Subset:  IM    
Affiliation:
Abbott Laboratories, Abbott Park, IL 60064-3500, USA. mark.bures@abbott.com
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MeSH Terms
Descriptor/Qualifier:
Algorithms
Chemistry, Organic / methods*
Drug Design
Models, Molecular
Molecular Structure
Reproducibility of Results
Software

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


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