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Chemoinformatics and computational chemical biology / edited by Jürgen Bajorath.
Format
Book
Language
English
Published/Created
New York, NY : Humana Press, 2010.
Description
x, 588 pages : illustrations (some color) ; 27 cm.
Availability
Available Online
Online Content
Springer Nature - Complete Protocols
Copies in the Library
Location
Call Number
Status
Location Service
Notes
ReCAP - Remote Storage
QH506 .M56 v.672
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Details
Subject(s)
Cheminformatics
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Editor
Bajorath, Jürgen
[Browse]
Bajorath, Jürgen
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Series
Springer protocols (Series)
[More in this series]
Methods in molecular biology (Clifton, N.J.) ; v. 672.
[More in this series]
Springer protocols
Methods in molecular biology ; 672
Bibliographic references
Includes bibliographical references and index.
Contents
1. Some Trends in Chem (o)informatics / Wendy A. Warr
2. Molecular Similarity Measures / Veerababu Shanmugasundaram
3. The Ups and Downs of Structure-Activity Landscapes / Rajarshi Guba
4. Computational Analysis of Activity and Selectivity Cliffs / Jurgen Bajorath
5. Similarity Searching Using 2D Structural Fingerprints / Peter Willett
6. Predicting the Performance of Fingerprint Similarity Searching / Jurgen Bajorath
7. Bayesian Methods in Virtual Screening and Chemical Biology / Andreas Bender
8. Reduced Graphs and Their Applications in Chemoinformatics / Valerie J. Gillet
9. Fragment Descriptors in Structure-Property Modeling and Virtual Screening / Alexandre Varnek
10. The Scaffold Tree: An Efficient Navigation in the Scaffold Universe / Steffen Renner
11. Pharmacophore-Based Virtual Screening / Dragos Horvath
12. De Novo Drug Design / Gisbert Schneider
13. Classification of Chemical Reactions and Chemoinformatics Processing of Enzymatic Transformations / Joao Aires-de-Sousa
14. Informatics Approach to the Rational Design of siRNA Libraries / Weifan Zheng
15. Beyond Rhodopsin: G Protein-Coupled Receptor Structure and Modeling Incorporating the β2-adrenergic and Adenosine A2A Crystal Structures / Dora M. Schnur
16. Methods for Combinatorial and Parallel Library Design / Cullen Cavallaro
17. The Interweaving of Cheminformatics and HTS / Christian N. Parker
18. Computational Systems Chemical Biology / Alexander Tropsha
19. Ligand-Based Approaches to In Silico Pharmacology / Jordi Mestres
20. Molecular Test Systems for Computational Selectivity Studies and Systematic Analysis of Compound Selectivity Profiles / Jurgen Bajorath
21. Application of Support Vector Machine-Based Ranking Strategies to Search for Target-Selective Compounds / Jurgen Bajorath
22. What Do We Know?: Simple Statistical Techniques that Help / Anthony Nicholls.
Show 19 more Contents items
ISBN
9781607618386
1607618389
OCLC
669000963
RCP
C - S
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Chemoinformatics and computational chemical biology / edited by Jürgen Bajorath.
id
9963047023506421
Chemoinformatics and Computational Chemical Biology [electronic resource] / edited by Jürgen Bajorath.
id
99125147098506421