The Resource Chemoinformatics in drug discovery, edited by Tudor I. Oprea
Chemoinformatics in drug discovery, edited by Tudor I. Oprea
Resource Information
The item Chemoinformatics in drug discovery, edited by Tudor I. Oprea represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Liverpool.This item is available to borrow from 1 library branch.
Resource Information
The item Chemoinformatics in drug discovery, edited by Tudor I. Oprea represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Liverpool.
This item is available to borrow from 1 library branch.
- 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
- Language
- eng
- Extent
- xxii, 493 p.
- 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
- Isbn
- 9783527307531
- Label
- Chemoinformatics in drug discovery
- Title
- Chemoinformatics in drug discovery
- Statement of responsibility
- edited by Tudor I. Oprea
- 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
- 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
- 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 Links
Embed
Settings
Select options that apply then copy and paste the RDF/HTML data fragment to include in your application
Embed this data in a secure (HTTPS) page:
Layout options:
Include data citation:
<div class="citation" vocab="http://schema.org/"><i class="fa fa-external-link-square fa-fw"></i> Data from <span resource="http://link.liverpool.ac.uk/portal/Chemoinformatics-in-drug-discovery-edited-by/GU3T5FSPRjI/" typeof="Book http://bibfra.me/vocab/lite/Item"><span property="name http://bibfra.me/vocab/lite/label"><a href="http://link.liverpool.ac.uk/portal/Chemoinformatics-in-drug-discovery-edited-by/GU3T5FSPRjI/">Chemoinformatics in drug discovery, edited by Tudor I. Oprea</a></span> - <span property="potentialAction" typeOf="OrganizeAction"><span property="agent" typeof="LibrarySystem http://library.link/vocab/LibrarySystem" resource="http://link.liverpool.ac.uk/"><span property="name http://bibfra.me/vocab/lite/label"><a property="url" href="http://link.liverpool.ac.uk/">University of Liverpool</a></span></span></span></span></div>
Note: Adjust the width and height settings defined in the RDF/HTML code fragment to best match your requirements
Preview
Cite Data - Experimental
Data Citation of the Item Chemoinformatics in drug discovery, edited by Tudor I. Oprea
Copy and paste the following RDF/HTML data fragment to cite this resource
<div class="citation" vocab="http://schema.org/"><i class="fa fa-external-link-square fa-fw"></i> Data from <span resource="http://link.liverpool.ac.uk/portal/Chemoinformatics-in-drug-discovery-edited-by/GU3T5FSPRjI/" typeof="Book http://bibfra.me/vocab/lite/Item"><span property="name http://bibfra.me/vocab/lite/label"><a href="http://link.liverpool.ac.uk/portal/Chemoinformatics-in-drug-discovery-edited-by/GU3T5FSPRjI/">Chemoinformatics in drug discovery, edited by Tudor I. Oprea</a></span> - <span property="potentialAction" typeOf="OrganizeAction"><span property="agent" typeof="LibrarySystem http://library.link/vocab/LibrarySystem" resource="http://link.liverpool.ac.uk/"><span property="name http://bibfra.me/vocab/lite/label"><a property="url" href="http://link.liverpool.ac.uk/">University of Liverpool</a></span></span></span></span></div>
