Coverart for item
The Resource Chemoinformatics in drug discovery, edited by Tudor I. Oprea

Chemoinformatics in drug discovery, edited by Tudor I. Oprea

Label
Chemoinformatics in drug discovery
Title
Chemoinformatics in drug discovery
Statement of responsibility
edited by Tudor I. Oprea
Contributor
Subject
Language
eng
Summary
"Chemoinformatics experts from large pharmaceutical companies, as well as from chemoinformatics service providers and from academia demonstrate what can be achieved today by harnessing the power of computational methods for the drug discovery process." "With the user rather than the developer of chemoinformatics software in mind, the successful application of computational tools for commonly encountered tasks is described in detail, and numerous real life examples are given. An invaluable resource for drug developers and medicinal chemists in academia and industry."--BOOK JACKET
Cataloging source
NLM
Illustrations
illustrations
Index
index present
Literary form
non fiction
Nature of contents
bibliography
http://library.link/vocab/relatedWorkOrContributorName
Oprea, Tudor I
Series statement
Methods and principles in medicinal chemistry
Series volume
23
http://library.link/vocab/subjectName
  • Drug Design
  • Chemistry, Pharmaceutical
  • Computational Biology
  • Drugs
  • Cheminformatics
Label
Chemoinformatics in drug discovery, edited by Tudor I. Oprea
Instantiates
Publication
Bibliography note
Includes bibliographical references and index
Carrier category
volume
Carrier category code
  • nc
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
  • 1.
  • Introduction to chemoinformatics in drug discovery - a personal view/
  • Garland R. Marshall
  • p. 1
  • 2.
  • Chemoinformatics in lead discovery/
  • Tudor I. Oprea
  • p. 25
  • p. 43
  • 3.
  • Computational chemistry, molecular complexity and screening set design/
  • Michael M. Hann
  • Andrew R. Leach
  • Darren V. S. Green
  • p. 59
  • 4.
  • Algorithmic engines in virtual screening/
  • Matthias Rarey
  • Christian Lemmen
  • Hans Matter
  • Frederique Barbosa
  • Sherry L. Rogalski
  • p. 117
  • 5.
  • Strengths and limitations of pharmacophore-based virtual screening/
  • Dragos Horvath
  • Boryeu Mao
  • Rafael Gozalbes
  • p. 143
  • 6.
  • Enhancing hit quality and diversity within assay throughput constraints/
  • Iain McFadyen
  • Gary Walker
  • Juan Alvarez
  • p. 175
  • 7.
  • Molecular diversity in lead discovery : from quantity to quality/
  • Cullen L. Cavallaro
  • Dora M. Schnur
  • Andrew J. Tebben
  • 8.
  • In Silico lead optimization/
  • Chris M. W. Ho
  • p. 199
  • Ramona Rad
  • Alina Bora
  • Nicoleta Hadaruga
  • Ionela Olah
  • Magdalena Banda
  • 9.
  • Zeno Simon
  • Mircea Mracec
  • Tudor I. Oprea
  • p. 223
  • WOMBAT : world of molecular bioactivity/
  • Marius Olah
  • Maria Mracec
  • Liliana Ostopovici
  • p. 241
  • 10.
  • Cabinet - chemical and biological informatics network/
  • Vera Povolna
  • Scott Dixon
  • David Weininger
  • 11.
  • Structure modification in chemical databases/
  • Peter W. Kenny
  • Jens Sadowski
  • p. 271
  • p. 287
  • 12.
  • Rational design of GPCR-specific combinational libraries based on the concept of privileged substructures/
  • Nikolay P. Savchuk
  • Sergey E. Tkachenko
  • Konstantin V. Balakin
  • Tom N. Doman
  • Martin W. Schultz
  • p. 317
  • 13.
  • practical strategy for directed compound acquisition/
  • Gerald M. Maggiora
  • Veerabahu Shanmugasundaram
  • Michael S. Lajiness
  • 14.
  • Efficient strategies for lead optimization by simultaneously addressing affinity, selectivity and pharmacokinetic parameters/
  • Karl-Heinz Baringhaus
  • Hans Matter
  • p. 333
  • p. 381
  • 15.
  • Chemoinformatic tools for library design and the hit-to-lead process : a user's perspective/
  • Robert Alan Goodnow, Jr.
  • Paul Gillespie
  • Konrad Bleicher
  • 16.
  • Application of predictive QSAR models to database mining/
  • Alexander Tropsha
  • p. 437
  • 17.
  • Drug discovery in academia - a case study/
  • Donald J. Abraham
  • p. 457
Control code
ocm58054327
Dimensions
25 cm.
Extent
xxii, 493 p.
Isbn
9783527307531
Media category
unmediated
Media MARC source
rdamedia
Media type code
  • n
Other physical details
ill., (some col.)
Label
Chemoinformatics in drug discovery, edited by Tudor I. Oprea
Publication
Bibliography note
Includes bibliographical references and index
Carrier category
volume
Carrier category code
  • nc
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
  • 1.
  • Introduction to chemoinformatics in drug discovery - a personal view/
  • Garland R. Marshall
  • p. 1
  • 2.
  • Chemoinformatics in lead discovery/
  • Tudor I. Oprea
  • p. 25
  • p. 43
  • 3.
  • Computational chemistry, molecular complexity and screening set design/
  • Michael M. Hann
  • Andrew R. Leach
  • Darren V. S. Green
  • p. 59
  • 4.
  • Algorithmic engines in virtual screening/
  • Matthias Rarey
  • Christian Lemmen
  • Hans Matter
  • Frederique Barbosa
  • Sherry L. Rogalski
  • p. 117
  • 5.
  • Strengths and limitations of pharmacophore-based virtual screening/
  • Dragos Horvath
  • Boryeu Mao
  • Rafael Gozalbes
  • p. 143
  • 6.
  • Enhancing hit quality and diversity within assay throughput constraints/
  • Iain McFadyen
  • Gary Walker
  • Juan Alvarez
  • p. 175
  • 7.
  • Molecular diversity in lead discovery : from quantity to quality/
  • Cullen L. Cavallaro
  • Dora M. Schnur
  • Andrew J. Tebben
  • 8.
  • In Silico lead optimization/
  • Chris M. W. Ho
  • p. 199
  • Ramona Rad
  • Alina Bora
  • Nicoleta Hadaruga
  • Ionela Olah
  • Magdalena Banda
  • 9.
  • Zeno Simon
  • Mircea Mracec
  • Tudor I. Oprea
  • p. 223
  • WOMBAT : world of molecular bioactivity/
  • Marius Olah
  • Maria Mracec
  • Liliana Ostopovici
  • p. 241
  • 10.
  • Cabinet - chemical and biological informatics network/
  • Vera Povolna
  • Scott Dixon
  • David Weininger
  • 11.
  • Structure modification in chemical databases/
  • Peter W. Kenny
  • Jens Sadowski
  • p. 271
  • p. 287
  • 12.
  • Rational design of GPCR-specific combinational libraries based on the concept of privileged substructures/
  • Nikolay P. Savchuk
  • Sergey E. Tkachenko
  • Konstantin V. Balakin
  • Tom N. Doman
  • Martin W. Schultz
  • p. 317
  • 13.
  • practical strategy for directed compound acquisition/
  • Gerald M. Maggiora
  • Veerabahu Shanmugasundaram
  • Michael S. Lajiness
  • 14.
  • Efficient strategies for lead optimization by simultaneously addressing affinity, selectivity and pharmacokinetic parameters/
  • Karl-Heinz Baringhaus
  • Hans Matter
  • p. 333
  • p. 381
  • 15.
  • Chemoinformatic tools for library design and the hit-to-lead process : a user's perspective/
  • Robert Alan Goodnow, Jr.
  • Paul Gillespie
  • Konrad Bleicher
  • 16.
  • Application of predictive QSAR models to database mining/
  • Alexander Tropsha
  • p. 437
  • 17.
  • Drug discovery in academia - a case study/
  • Donald J. Abraham
  • p. 457
Control code
ocm58054327
Dimensions
25 cm.
Extent
xxii, 493 p.
Isbn
9783527307531
Media category
unmediated
Media MARC source
rdamedia
Media type code
  • n
Other physical details
ill., (some col.)

Library Locations

    • Harold Cohen LibraryBorrow it
      Ashton Street, Liverpool, L69 3DA, GB
      53.418074 -2.967913
Processing Feedback ...