Synthetic library design

Compound libraries have an important role in the drug discovery process. Various computational methods are available as decision support tools for medicinal chemists involved in compound library synthesis programs. These methods can be used to assemble a flexible library design scheme consisting of...

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Veröffentlicht in:	Drug discovery today 2006-08, Vol.11 (15), p.763-767
1. Verfasser:	Huwe, Christoph M.
Format:	Artikel
Sprache:	eng
Schlagworte:	Animals Biological and medical sciences Combinatorial Chemistry Techniques - methods Computer-Aided Design Drug Design Drug Evaluation, Preclinical - methods General pharmacology Humans Medical sciences Pharmaceutical Preparations - administration & dosage Pharmaceutical Preparations - chemistry Pharmaceutical technology. Pharmaceutical industry Pharmacology. Drug treatments Physicochemical properties. Structure-activity relationships Structure-Activity Relationship Technology, Pharmaceutical - methods
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Beschreibung
Zusammenfassung:	Compound libraries have an important role in the drug discovery process. Various computational methods are available as decision support tools for medicinal chemists involved in compound library synthesis programs. These methods can be used to assemble a flexible library design scheme consisting of a structure-based library design followed by property-biased library refinement and final selection according to structure–activity-relationship considerations.
ISSN:	1359-6446 1878-5832
DOI:	10.1016/j.drudis.2006.06.017