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

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    Details

    Subject(s)
    Editor
    Series
    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.
    ISBN
    • 9781607618386
    • 1607618389
    OCLC
    669000963
    RCP
    C - S
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