MARC details
| 000 -LEADER |
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| fixed length control field |
02005nam a22002537a 4500 |
| 003 - CONTROL NUMBER IDENTIFIER |
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| control field |
CUTN |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20190823144541.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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| fixed length control field |
190823b ||||| |||| 00| 0 eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
9788184892550 |
| 041 ## - LANGUAGE CODE |
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| Language |
English |
| 082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER |
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| Classification number |
542.8 |
| Item number |
LEA |
| 100 ## - MAIN ENTRY--PERSONAL NAME |
|---|
| Personal name |
Leach, Andrew R. |
| 245 ## - TITLE STATEMENT |
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| Title |
An introduction to chemoinformatics |
| Statement of responsibility, etc |
Andrew R Leach; Valerie J Gillet |
| 250 ## - EDITION STATEMENT |
|---|
| Edition statement |
Rev ed |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) |
|---|
| Place of publication, distribution, etc |
New Delhi : |
| Name of publisher, distributor, etc |
Springer, |
| Date of publication, distribution, etc |
2007. |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Extent |
xv, 255 pages : |
| Other physical details |
ill.; |
| Dimensions |
24 cm. |
| 505 ## - FORMATTED CONTENTS NOTE |
|---|
| Title |
Representation And Manipulation Of 2D Molecular Structures --<br/> |
| -- |
Representation And Manipulation Of 3D Molecular Structures --<br/> |
| -- |
Molecular Descriptors --<br/> |
| -- |
Computational Models --<br/> |
| -- |
Similarity Methods --<br/> |
| -- |
Selecting Diverse Sets Of Compounds --<br/> |
| -- |
Analysis Of High-Throughput Screening Data --<br/> |
| -- |
Virtual Screening --<br/> |
| -- |
Combinatorial Chemistry And Library Design. |
| 520 ## - SUMMARY, ETC. |
|---|
| Summary, etc |
Chemoinformatics draws upon techniques from many disciplines including computer science, mathematics, computational chemistry and data visualisation to tackle these problems. This, the first text written specifically for this field, aims to provide an 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. |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| Topical term or geographic name as entry element |
Cheminformatics |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Chemistry |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Pharmacy |
| 700 ## - ADDED ENTRY--PERSONAL NAME |
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| Personal name |
Gillet, Valerie J. |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
|---|
| Source of classification or shelving scheme |
Dewey Decimal Classification |
| Koha item type |
General Books |
