An Introduction to Chemoinformatics (Record no. 294861)

MARC details
000 -LEADER
fixed length control field 01363nam a2200169Ia 4500
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9788184892550
082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 615.19 LEA-I
100 ## - MAIN ENTRY--PERSONAL NAME
Personal name Andrew R Leach
245 ## - TITLE STATEMENT
Title An Introduction to Chemoinformatics
260 ## - PUBLICATION, DISTRIBUTION, ETC.
Place of publication, distribution, etc. New Delhi
Name of publisher, distributor, etc. Springer ( India ) Pvt. Ltd.
Date of publication, distribution, etc. 2007
300 ## - PHYSICAL DESCRIPTION
Extent xv, 255p.
505 ## - FORMATTED CONTENTS NOTE
Formatted contents note 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 -- Appendix 1. Matrices, eigenvectors and eigenvalues -- Appendix 2. Conformation, energy calculations and energy surfaces.
520 ## - SUMMARY, ETC.
Summary, etc. "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
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Cheminformatics. Drug Design. Chemistry, Pharmaceutical -- methods.
700 ## - ADDED ENTRY--PERSONAL NAME
Personal name Valerie J Gillet
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Koha item type Book
Holdings
Withdrawn status Lost status Damaged status Not for loan Home library Current library Shelving location Date acquired Total Checkouts Full call number Barcode Checked out Date last seen Date last checked out Price effective from Koha item type
        Dept. of Computational Biology and Bioinformatics Dept. of Computational Biology and Bioinformatics Processing Center 01/09/2015 3 615.19 LEA-I DCB1512 31/12/2022 17/10/2022 17/10/2022 19/07/2019 Book
        Dept. of Computational Biology and Bioinformatics Dept. of Computational Biology and Bioinformatics Processing Center 01/04/2016 1 615.19 LEA-I DCB2948   21/11/2022 14/11/2022 19/07/2019 Book