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" Chemoinformatics and computational chemical biology / "
edited by Jürgen Bajorath.
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BL
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| Record Number
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682985
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| Doc. No
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b505174
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| Title & Author
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Chemoinformatics and computational chemical biology /\ edited by Jürgen Bajorath.
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| Publication Statement
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New York, NY :: Humana Press,, c2011.
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| Series Statement
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Methods in molecular biology ;; 672
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Springer protocols
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| Page. NO
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x, 588 p. :: ill. (some col.) ;; 27 cm.
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| ISBN
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1607618389
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: 9781607618386
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| Bibliographies/Indexes
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Includes bibliographical references and index.
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| Contents
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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.
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| Subject
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Cheminformatics.
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| Subject
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Chemistry, Pharmaceutical-- methods.
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| Subject
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Combinatorial Chemistry Techniques-- methods.
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| Added Entry
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Bajorath, Jürgen.
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