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Title:

Chemical library design / edited by Joe Zhongxiang Zhou.

Publisher:

Human Press,

Copyright Date:

c2011

Description:

x, 362 p. : ill. (some col.) ; 27 cm.

Subject:

Combinatorial chemistry.
Cheminformatics.
Drugs--Design.
Small Molecule Libraries--Laboratory Manuals.
Drug Discovery--methods--Laboratory Manuals.
Chemistry--methods--Laboratory Manuals.
Medical Informatics--methods--Laboratory Manuals.
Pharmaceutical Preparations--chemistry--Laboratory Manuals.

Other Authors:

Zhou, Joe Zhongxiang.

Notes:

Includes bibliographical references and index.

Contents:

Historical overview of chemical library design / Roland E. Dolle -- Chemoinformatics and library design / Joe Zongxiang Zhou -- Molecular library design using multi-objective optimization methods / Christos A. Nicolaou and Christos C. Kannas -- A scalable approach to combinatorial library design / Puneet Sharma, Srinivasa Salapaka, and Carolyn Beck -- Application of Free-Wilson selectivity analysis for combinatorial library design / Simone Sciabola ... [et al.] -- Application of QSAR and shape pharmacophore modeling approaches for targeted chemical library design / Jerry O. Ebalunode, Weifan Zheng, and Alexander Tropsha -- Combinatorial library design from reagent pharmacophore fingerprints / Hongming Chen, Ola Engkvist, and Niklas Blomberg -- Docking methods for structure-based library design / Claudio N. Cavasotto and Sharangdhar S. Phatak -- Structure-based library design in efficient discovery of novel inhibitors / Shunqi Yan and Robert Selliah -- Structure-based and property-compliant library design of 11[beta]-HSD1 adamantyl amide inhibitors / Genevieve D. Paderes ... [et al.] -- Design of screening collections for successful fragment-based lead discovery / James Na and Qiyue Hu -- Fragment-based drug design / Eric Feyfant ... [et al.] -- LEAP into the Pfizer Global Virtual Library (PGVL) space : creation of readily synthesizable design ideas automatically / Qiyue Hu ... [et al.] -- The design, annotation, and application of a kinase-targeted library / Hualin Xi and Elizabeth A. Lunney -- PGVL hub : an integrated desktop tool for medicinal chemists to streamline design and synthesis of chemical libraries and singleton compounds / Zhengwei Peng ... [et al.] -- Design of targeted libraries against the human Chk1 kinase using PGVL hub / Xengwei Peng and Qiyue Hu -- GLARE : a tool for product-oriented design of combinatorial libraries / Jean-François Truchon -- CLEVER : a general design tool for combinatorial libraries / Tze Hau Lam ... [et al.].

Series:

Springer protocols
Methods in molecular biology, 1064-3745 ; v. 685

ISBN:

160761930X (alk. paper)
9781607619307 (alk. paper)

OCLC:

(OCoLC)680278847

LCCN:

2010937983

Locations:

OVUX522 -- University of Iowa Libraries (Iowa City)