Chemoinformatics and computational chemical biology - Info and Reading Options

"Chemoinformatics and computational chemical biology" Table Of Contents:

• 1- Some trends in chem(o)informatics / Wendy A. Warr
• 2- Molecular similarity measures / Gerald M. Maggiora and Veerabahu Shanmugasundaram
• 3- The ups and downs of structure-activity landscapes / Rajarshi Guha
• 4- Computational analysis of activity and selectivity cliffs / Lisa Peltason and Jürgen Bajorath
• 5- Similarity searching using 2D structural fingerprints / Peter Willett
• 6- Predicting the performance of fingerprint similarity searching / Martin Vogt and Jürgen Bajorath
• 7- Bayesian methods in virtual screening and chemical biology / Andreas Bender
• 8- Reduced graphs and their applications in chemoinformatics / Kristian Birchall and 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 / Peter Ertl, Ansgar Schuffenhauer, and Steffen Renner
• 11- Pharmacophore-based virtual screening / Dragos Horvath
• 12- De novo drug design / Markus Hartenfeller and Gisbert Schneider
• 13- Classification of chemical reactions and chemoinformatics processing of enzymatic transformations / Diogo A.R.S. Latino and João Aires-de-Sousa
• 14- Informatics approach to the rational design of siRNA libraries / Jerry O. Ebalunode, Charles Jagun, and Weifan Zheng
• 15- Beyond rhodopsin : G protein-coupled receptor structure and modeling incorporating the [beta]2-adrenergic and adenosine A₂a crystal structures / Andrew J. Tebben and Dora M. Schnur
• 16- Methods for combinatorial and parallel library design / Dora M. Schnur, Brett R. Beno, Andrew J. Tebben, and Cullen Cavallaro
• 17- The interweaving of cheminformatics and HTS / Anne Kümmel and Christian N. Parker
• 18- Computational systems chemical biology / Tudor I. Oprea, Elebeoba E. May, Andrei Leitão, and Alexander Tropsha
• 19- Ligand-based approaches to in silico pharmacology / David Vidal, Ricard Garcia-Serna, and Jordi Mestres
• 20- Molecular test systems for cmputational selectivity studies and systematic analysis of compound selectivity profiles / Dagmar Stumpfe, Eugen Lounkine, and Jürgen Bajorath
• 21- Application of support vector machine-based ranking strategies to search for target-selective compounds / Anne Mai Wassermann, Hanna Geppert, and Jürgen Bajorath
• 22- What do we know? : simple statistical techniques that help / Anthony Nicholls.

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