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Chemoinformatics in drug discovery /

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Chemoinformatics in drug discovery /Edited by Tudor I. Oprea.
其他作者:	Oprea, Tudor I.
出版者:	Weinheim :Wiley-VCH,c2004.
面頁冊數:	xxi, 493 p. :ill. ;cm.
標題:	Cheminformatics.
電子資源:	Authentication may be required:
ISBN:	3527307532 (print. ed.)

Chemoinformatics in drug discovery /
Chemoinformatics in drug discovery /[electronic resource] /Edited by Tudor I. Oprea. - Weinheim :Wiley-VCH,c2004. - xxi, 493 p. :ill. ;cm.

Includes bibliographical references and index.

Introduction to chemoinformatics in drug discovery - a personal view / Garland R. Marshall -- Chemoinformatics in lead discovery / Tudor I. Oprea -- Computational chemistry, molecular complexity and screening set design / Michael M. Hann, Andrew R. Leach, and Darren V.S. Green -- Algorithmic engines in virtual screening / Matthias Rarey, Christian Lemmen, and Hans Matter -- Strengths and limitations of pharmacophore-based virtual screening / Dragos Horvath ... [et al.] -- Enhancing hit quality and diversity within assay throughput constraints / Iain McFadyen, Gary Walker, and Juan Alvarez -- Molecular diversity in lead discovery : from quantity to quality / Cullen L. Cavallaro, Dora M. Schnur, and Andrew J. Tebben -- In silico lead optimization / Chris M.W. Ho -- WOMBAT : World of Molecular Bioactivity / Marius Olah [et al.] -- Cabinet - chemical and biological informatics network / Vera Povolna, Scott Dixon, and David Weininger -- Structure modification in chemical databases / Peter W. Kenny and Jens Sado -- Rational design of GPCR-specific combinational libraries based on the concept of privileged substructures / Nikolay P. Savchuk, Sergey E. Tkachenko, and Konstantin V. Balakin -- A practical strategy for directed compound acquisition / Gerald M. Maggiora [et al.] -- Efficient strategies for lead optimization by simultaneously addressing affinity, selectivity and pharmacokinetic parameters / Karl-Heinz Baringhaus and Hans Matter -- Chemoinformatic tools for library design and the hit-to-lead process : a user�s perspective / Robert Alan Goodnow, Jr., Paul Gillespie, and Konrad Bleicher -- Application of predictive QSAR models to database mining / Alexander Tropsha -- Drug discovery in academia - a case study / Donald J. Abraham.

Electronic reproduction.
Somerset, New Jersey :
Wiley InterScience.

Available via World Wide Web.

ISBN: 3527307532 (print. ed.)Subjects--Topical Terms:

225269
Cheminformatics.
Subjects--Index Terms:

Industrial Chemistry.

LC Class. No.: RS418 / .C48 2004

Chemoinformatics in drug discovery /
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300 $a xxi, 493 p. : $b ill. ; $c cm.
504 $a Includes bibliographical references and index.
505 0 # $a Introduction to chemoinformatics in drug discovery - a personal view / Garland R. Marshall -- Chemoinformatics in lead discovery / Tudor I. Oprea -- Computational chemistry, molecular complexity and screening set design / Michael M. Hann, Andrew R. Leach, and Darren V.S. Green -- Algorithmic engines in virtual screening / Matthias Rarey, Christian Lemmen, and Hans Matter -- Strengths and limitations of pharmacophore-based virtual screening / Dragos Horvath ... [et al.] -- Enhancing hit quality and diversity within assay throughput constraints / Iain McFadyen, Gary Walker, and Juan Alvarez -- Molecular diversity in lead discovery : from quantity to quality / Cullen L. Cavallaro, Dora M. Schnur, and Andrew J. Tebben -- In silico lead optimization / Chris M.W. Ho -- WOMBAT : World of Molecular Bioactivity / Marius Olah [et al.] -- Cabinet - chemical and biological informatics network / Vera Povolna, Scott Dixon, and David Weininger -- Structure modification in chemical databases / Peter W. Kenny and Jens Sado -- Rational design of GPCR-specific combinational libraries based on the concept of privileged substructures / Nikolay P. Savchuk, Sergey E. Tkachenko, and Konstantin V. Balakin -- A practical strategy for directed compound acquisition / Gerald M. Maggiora [et al.] -- Efficient strategies for lead optimization by simultaneously addressing affinity, selectivity and pharmacokinetic parameters / Karl-Heinz Baringhaus and Hans Matter -- Chemoinformatic tools for library design and the hit-to-lead process : a user�s perspective / Robert Alan Goodnow, Jr., Paul Gillespie, and Konrad Bleicher -- Application of predictive QSAR models to database mining / Alexander Tropsha -- Drug discovery in academia - a case study / Donald J. Abraham.
533 $a Electronic reproduction. $b Somerset, New Jersey : $c Wiley InterScience. $n Available via World Wide Web.
650 # 0 $a Cheminformatics. $3 225269
650 # 0 $a Chemistry $x Data processing. $3 210875
653 # # $a Industrial Chemistry.
700 0 # $a Oprea, Tudor I. $3 225528
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856 4 0 $a E-Books (Wiley) $u http://libsw.nuk.edu.tw/login?url=http://dx.doi.org/10.1002/3527603743 $z Authentication may be required: