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Chemoinformatics and computational chemical biology

Author: Jürgen Bajorath
Publisher: New York, N.Y. : Humana Press, ©2010.
Series: Springer protocols (Series); Methods in molecular biology (Clifton, N.J.), v. 672.
Edition/Format:   eBook : Document : EnglishView all editions and formats
Database:WorldCat
Summary:

This book brings together reviews and methods including, system-directed approaches using small molecules, the design of target-focused compound libraries, the study of molecular selectivity, and the  Read more...

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Additional Physical Format: Print version:
Chemoinformatics and Computational Chemical Biology.
New York, NY : Humana Press, 2010
(OCoLC)669000963
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Jürgen Bajorath
ISBN: 9781607618393 1607618397
OCLC Number: 669179169
Description: 1 online resource (x, 588 pages) : illustrations (some color).
Contents: 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 b2-adrenergic and Adenosine A2A 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 Computational 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.
Series Title: Springer protocols (Series); Methods in molecular biology (Clifton, N.J.), v. 672.
Responsibility: edited by Jürgen Bajorath.
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