Chemoinformatics and computational chemical biology / (Record no. 26927)

MARC details
000 -LEADER
fixed length control field 05210cam a2200421 i 4500
001 - CONTROL NUMBER
control field 16442422
003 - CONTROL NUMBER IDENTIFIER
control field EG-ScBUE
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20250731101637.0
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 100901t2011 nyua f b 001 0 eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9781607618386 (alk. paper)
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 1607618389 (alk. paper)
035 ## - SYSTEM CONTROL NUMBER
System control number (OCoLC)ocn669000963
040 ## - CATALOGING SOURCE
Original cataloging agency HNC
Language of cataloging eng
Description conventions rda
Transcribing agency HNC
Modifying agency CUS
-- YDXCP
-- BTCTA
-- BWX
-- COU
-- MIA
-- DLC
-- EG-ScBUE
082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 542.85
Item number CHE
Edition number 22
245 00 - TITLE STATEMENT
Title Chemoinformatics and computational chemical biology /
Statement of responsibility, etc edited by Jürgen Bajorath.
264 #1 - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT)
Place of publication, distribution, etc New York :
Name of publisher, distributor, etc Humana Press / Springer Science,
Date of publication, distribution, etc [2011]
264 #4 - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT)
Date of publication, distribution, etc c2011
300 ## - PHYSICAL DESCRIPTION
Extent x, 588 pages :
Other physical details illustrations (some color) ;
Dimensions 27 cm.
336 ## - CONTENT TYPE
Source rdacontent
Content type term text
Content type code txt
337 ## - MEDIA TYPE
Source rdamedia
Media type term unmediated
Media type code n
338 ## - CARRIER TYPE
Source rdacarrier
Carrier type term volume
Carrier type code nc
490 0# - SERIES STATEMENT
Series statement Springer protocols
490 0# - SERIES STATEMENT
Series statement Methods in molecular biology ;
Volume number/sequential designation 672
504 ## - BIBLIOGRAPHY, ETC. NOTE
Bibliography, etc Includes bibliographical references and index.
505 0# - FORMATTED CONTENTS NOTE
Formatted contents note Some trends in chem(o)informatics / Wendy A. Warr -- Molecular similarity measures / Gerald M. Maggiora and Veerabahu Shanmugasundaram -- The ups and downs of structure-activity landscapes / Rajarshi Guha -- Computational analysis of activity and selectivity cliffs / Lisa Peltason and Jurgen Bajorath -- Similarity searching using 2D structural fingerprints / Peter Willett -- Predicting the performance of fingerprint similarity searching / Martin Vogt and Jurgen Bajorath -- Bayesian methods in virtual screening and chemical biology / Andreas Bender -- Reduced graphs and their applications in chemoinformatics / Kristian Birchall and Valerie J. Gillet -- Fragment descriptors in structure-property modeling and virtual screening / Alexandre Varnek -- The scaffold tree : an efficient navigation in the scaffold universe / Peter Ertl, Ansgar Schuffenhauer, and Steffen Renner -- Pharmacophore-based virtual screening / Dragos Horvath -- De novo drug design / Markus Hartenfeller and Gisbert Schneider -- Classification of chemical reactions and chemoinformatics processing of enzymatic transformations / Diogo A.R.S. Latino and Joao Aires-de-Sousa -- Informatics approach to the rational design of siRNA libraries / Jerry O. Ebalunode, Charles Jagun, and Weifan Zheng -- Beyond rhodopsin : G protein-coupled receptor structure and modeling incorporating the [beta]2-adrenergic and adenosine Ab2sa crystal structures / Andrew J. Tebben and Dora M. Schnur -- Methods for combinatorial and parallel library design / Dora M. Schnur, Brett R. Beno, Andrew J. Tebben, and Cullen Cavallaro -- The interweaving of cheminformatics and HTS / Anne Kummel and Christian N. Parker -- Computational systems chemical biology / Tudor I. Oprea, Elebeoba E. May, Andrei Leitao, and Alexander Tropsha -- Ligand-based approaches to in silico pharmacology / David Vidal, Ricard Garcia-Serna, and Jordi Mestres -- Molecular test systems for cmputational selectivity studies and systematic analysis of compound selectivity profiles / Dagmar Stumpfe, Eugen Lounkine, and Jurgen Bajorath -- Application of support vector machine-based ranking strategies to search for target-selective compounds / Anne Mai Wassermann, Hanna Geppert, and Jurgen Bajorath -- What do we know? : simple statistical techniques that help / Anthony Nicholls.
520 ## - SUMMARY, ETC.
Summary, etc Over the past years, the chem(o)informatics field has further evolved and new application areas have opened up, for example, in the broadly defined area of chemical biology. In Chemoinformatics and Computational Chemical Biology, leading investigators bring together a detailed series of reviews and methods including, among others, system-directed approaches using small molecules, the design of target-focused compound libraries, the study of molecular selectivity, and the systematic analysis of target-ligand interactions. Furthermore, the book delves into similarity methods, machine learning, probabilistic approaches, fragment-based methods, as well as topics that go beyond the current chemoinformatics spectrum, such as knowledge-based modeling of G protein-coupled receptor structures and computational design of siRNA libraries. As a volume in the highly successful Methods in Molecular Biology™ series, this collection provides detailed descriptions and implementation advice that are exceedingly relevant for basic researchers and practitioners in this highly interdisciplinary research and development area. Cutting-edge and unambiguous, Chemoinformatics and Computational Chemical Biology serves as an ideal guide for experts and newcomers alike to this vital and dynamic field of study.
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Cheminformatics.
Source of heading or term BUEsh
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Computational Biology
General subdivision methods
Form subdivision Laboratory Manuals.
Source of heading or term BUEsh
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Biochemistry
General subdivision methods
Form subdivision Laboratory Manuals.
Source of heading or term BUEsh
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Combinatorial Chemistry Techniques
General subdivision methods.
Source of heading or term BUEsh
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Chemistry, Pharmaceutical
General subdivision methods.
Source of heading or term BUEsh
651 ## - SUBJECT ADDED ENTRY--GEOGRAPHIC NAME
Source of heading or term BUEsh
653 ## - INDEX TERM--UNCONTROLLED
Resource For college Engineering, Chemical
-- Generalities
Arrived date list November2018
655 ## - INDEX TERM--GENRE/FORM
Form subdivision Reading book
700 1# - ADDED ENTRY--PERSONAL NAME
Personal name Bajorath, Jürgen,
Relator term editor.
9 (RLIN) 41866
776 08 - ADDITIONAL PHYSICAL FORM ENTRY
Display text Online version:
Title Chemoinformatics and computational chemical biology.
Place, publisher, and date of publication New York, N.Y. : Humana Press, c2010
Record control number (OCoLC)669179169
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Source of classification or shelving scheme Dewey Decimal Classification
Koha item type Book - Borrowing
Holdings
Withdrawn status Lost status Source of classification or shelving scheme Damaged status Not for loan Collection code Home library Current library Shelving location Date acquired Source of acquisition Cost, normal purchase price Total Checkouts Full call number Barcode Date last seen Koha item type
    Dewey Decimal Classification     Baccah Central Library Central Library First floor 01/11/2018 Purchase 2750.00   542.85 CHE 000043741 15/07/2025 Book - Borrowing

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