Bookedited by Jürgen Bajorath.
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.