Tools

LEADER 03680cam 2200565 a 4500

001 ocm58054327;

003 OCoLC;

005 20141211193152.0;

008 040621s2005 gw a b 001 0 eng ;

015 a| GBA4775392| bnb;

016 7 a| 1012650582| DNLM;

016 7 a| 0130240782| Uk;

016 7 a| 9715916442| GyFmDB;

020 a| 3527307532 (alk. paper);

020 a| 9783527307531 (alk. paper);

029 0 a| NLMb| 101265058;

029 1 a| YDXCPb| 2151857;

035 a| (Sirsi) o58054327;

035 a| (OCoLC)58054327;

042 a| ukblsra| nlmcopyc;

049 a| EREE;

050 4 a| RS418b| .C484 2005;

060 00 a| W1b| ME9613H v.23 2005;

060 10 a| QV 744b| C5177 2005;

072 7 a| RS2| lcco;

082 04 a| 615.192| 22;

245 00 a| Chemoinformatics in drug discovery /c| edited by Tudor I. Oprea.;

300 a| xxii, 493 pages :b| illustrations.;

336 a| text2| rdacontent;

337 a| unmediated2| rdamedia;

338 a| volume2| rdacarrier;

490 1 a| Methods and principles in medicinal chemistry ;v| v. 23;

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 / Jain 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.] --;

505 0 a| Cabinet - chemical and biological informatics network / Vera Povolna, Scott Dixon, and David Weininger -- Structure modification in chemical databases / Peter W. Kenny and Jens Sadowski -- 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.;

650 12 a| Pharmaceutical Preparationsx| Design.=| ^A936576;

650 22 a| Chemistry, Pharmaceutical.=| ^A919302;

650 22 a| Computational Biology.=| ^A933275;

650 7 a| Fármacos.2| larpcal;

650 0 a| Drugsx| Design.=| ^A477567;

650 0 a| Cheminformatics.=| ^A562201;

700 1 a| Oprea, Tudor I.=| ^A1215181;

830 0 a| Methods and principles in medicinal chemistryv| v. 23.=| ^A702288;

994 a| C0b| ERE;

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596 a| 1;

998 a| 1067937;

999 a| RS418 .C484 2005w| LCc| 1i| 30372014079732d| 4/27/2009f| 4/23/2009g| 1l| JGESm| JOYNERp| $190.00r| Ys| Yt| JGESBKu| 1/22/2007x| BOOKz| JSTACKSo| .STAFF. 0;

Chemoinformatics in drug discovery / edited by Tudor I. Oprea.

Other author	Oprea, Tudor I.
Format	Book
Publication Info	Weinheim : Wiley-VCH, ©2005.
Description	xxii, 493 pages : illustrations.
Subjects	Pharmaceutical Preparations--Design. Chemistry, Pharmaceutical. Computational Biology. Drugs--Design. Cheminformatics.

Series	Methods and principles in medicinal chemistry ; v. 23 Methods and principles in medicinal chemistry v. 23. ^A702288
Contents	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 / Jain 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.] --
Contents	Cabinet - chemical and biological informatics network / Vera Povolna, Scott Dixon, and David Weininger -- Structure modification in chemical databases / Peter W. Kenny and Jens Sadowski -- 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.
Bibliography note	Includes bibliographical references and index.
ISBN	3527307532 (alk. paper)
ISBN	9783527307531 (alk. paper)

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Joyner	General Stacks	RS418 .C484 2005	✔ Available	Place Hold

Chemoinformatics in drug discovery / edited by Tudor I. Oprea.

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