The Resource An introduction to chemoinformatics, by Andrew R. Leach and Valerie J. Gillet
An introduction to chemoinformatics, by Andrew R. Leach and Valerie J. Gillet
Resource Information
The item An introduction to chemoinformatics, by Andrew R. Leach and Valerie J. Gillet represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in Missouri University of Science & Technology Library.This item is available to borrow from 1 library branch.
Resource Information
The item An introduction to chemoinformatics, by Andrew R. Leach and Valerie J. Gillet represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in Missouri University of Science & Technology Library.
This item is available to borrow from 1 library branch.
- Summary
-
- "This text aims to provide a comprehensive introduction to the major techniques of chemoinformatics. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature."
- "The book is aimed at graduate students, final-year undergraduates, and professional scientists. No prior knowledge is assumed other than a familiarity with chemistry and some basic mathematical concepts."--Jacket
- Language
- eng
- Extent
- xv, 259 pages
- Contents
-
- Representation and manipulation of 2D molecular structures
- Representation and manipulation of 3D molecular structures
- Molecular descriptors
- Computational models
- Similarity methods
- Selecting diverse sets of compounds
- Analysis of high-throughput screening data
- Virtual screening
- Combinatorial chemistry and library design
- Matrices, eigenvectors and eigenvalues
- Conformation, energy calculations and energy surfaces
- Isbn
- 9781402013478
- Label
- An introduction to chemoinformatics
- Title
- An introduction to chemoinformatics
- Statement of responsibility
- by Andrew R. Leach and Valerie J. Gillet
- Language
- eng
- Summary
-
- "This text aims to provide a comprehensive introduction to the major techniques of chemoinformatics. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature."
- "The book is aimed at graduate students, final-year undergraduates, and professional scientists. No prior knowledge is assumed other than a familiarity with chemistry and some basic mathematical concepts."--Jacket
- Cataloging source
- DLC
- http://library.link/vocab/creatorName
- Leach, Andrew R
- Illustrations
- illustrations
- Index
- index present
- LC call number
- RS418
- LC item number
- .L435 2003
- Literary form
- non fiction
- Nature of contents
- bibliography
- http://library.link/vocab/relatedWorkOrContributorName
- Gillet, Valerie J
- http://library.link/vocab/subjectName
-
- Cheminformatics
- Chemistry
- Medical Informatics Computing
- Drug Design
- Chemistry, Pharmaceutical
- Combinatorial Chemistry Techniques
- Computer-Aided Design
- Label
- An introduction to chemoinformatics, by Andrew R. Leach and Valerie J. Gillet
- Bibliography note
- Includes bibliographical references (pages [225]-249) 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
- Representation and manipulation of 2D molecular structures -- Representation and manipulation of 3D molecular structures -- Molecular descriptors -- Computational models -- Similarity methods -- Selecting diverse sets of compounds -- Analysis of high-throughput screening data -- Virtual screening -- Combinatorial chemistry and library design -- Matrices, eigenvectors and eigenvalues -- Conformation, energy calculations and energy surfaces
- Control code
- 52194211
- Dimensions
- 25 cm
- Extent
- xv, 259 pages
- Isbn
- 9781402013478
- Isbn Type
- (alk. paper)
- Lccn
- 2003052181
- Media category
- unmediated
- Media MARC source
- rdamedia
- Media type code
-
- n
- Other physical details
- illustrations
- Label
- An introduction to chemoinformatics, by Andrew R. Leach and Valerie J. Gillet
- Bibliography note
- Includes bibliographical references (pages [225]-249) 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
- Representation and manipulation of 2D molecular structures -- Representation and manipulation of 3D molecular structures -- Molecular descriptors -- Computational models -- Similarity methods -- Selecting diverse sets of compounds -- Analysis of high-throughput screening data -- Virtual screening -- Combinatorial chemistry and library design -- Matrices, eigenvectors and eigenvalues -- Conformation, energy calculations and energy surfaces
- Control code
- 52194211
- Dimensions
- 25 cm
- Extent
- xv, 259 pages
- Isbn
- 9781402013478
- Isbn Type
- (alk. paper)
- Lccn
- 2003052181
- Media category
- unmediated
- Media MARC source
- rdamedia
- Media type code
-
- n
- Other physical details
- illustrations
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<div class="citation" vocab="http://schema.org/"><i class="fa fa-external-link-square fa-fw"></i> Data from <span resource="http://link.library.mst.edu/portal/An-introduction-to-chemoinformatics-by-Andrew-R./T0VX_CrOoFY/" typeof="Book http://bibfra.me/vocab/lite/Item"><span property="name http://bibfra.me/vocab/lite/label"><a href="http://link.library.mst.edu/portal/An-introduction-to-chemoinformatics-by-Andrew-R./T0VX_CrOoFY/">An introduction to chemoinformatics, by Andrew R. Leach and Valerie J. Gillet</a></span> - <span property="potentialAction" typeOf="OrganizeAction"><span property="agent" typeof="LibrarySystem http://library.link/vocab/LibrarySystem" resource="http://link.library.mst.edu/"><span property="name http://bibfra.me/vocab/lite/label"><a property="url" href="http://link.library.mst.edu/">Missouri University of Science & Technology Library</a></span></span></span></span></div>
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<div class="citation" vocab="http://schema.org/"><i class="fa fa-external-link-square fa-fw"></i> Data from <span resource="http://link.library.mst.edu/portal/An-introduction-to-chemoinformatics-by-Andrew-R./T0VX_CrOoFY/" typeof="Book http://bibfra.me/vocab/lite/Item"><span property="name http://bibfra.me/vocab/lite/label"><a href="http://link.library.mst.edu/portal/An-introduction-to-chemoinformatics-by-Andrew-R./T0VX_CrOoFY/">An introduction to chemoinformatics, by Andrew R. Leach and Valerie J. Gillet</a></span> - <span property="potentialAction" typeOf="OrganizeAction"><span property="agent" typeof="LibrarySystem http://library.link/vocab/LibrarySystem" resource="http://link.library.mst.edu/"><span property="name http://bibfra.me/vocab/lite/label"><a property="url" href="http://link.library.mst.edu/">Missouri University of Science & Technology Library</a></span></span></span></span></div>
