عنوان

Chemoinformatics and computational chemical biology /

(Number (ISBN

1607618389

(Number (ISBN

9781607618386

Number

b505174

Title Proper

Chemoinformatics and computational chemical biology /

General Material Designation

[Book]

First Statement of Responsibility

edited by Jürgen Bajorath.

Place of Publication, Distribution, etc.

New York, NY :

Name of Publisher, Distributor, etc.

Humana Press,

Date of Publication, Distribution, etc.

c2011.

Specific Material Designation and Extent of Item

x, 588 p. :

Other Physical Details

ill. (some col.) ;

Dimensions

27 cm.

Series Title

Methods in molecular biology ;

Series Title

Springer protocols

Volume Designation

672

Text of Note

Includes bibliographical references and index.

Text of 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 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.

0

Title

Chemoinformatics and computational chemical biology.

Cheminformatics.

Chemistry, Pharmaceutical-- methods.

Combinatorial Chemistry Techniques-- methods.

Bajorath, Jürgen.

Date of Transaction

20101020145100.0

Electronic name

[Book]

Y