Chemoinformatics Approaches to Virtual Screening Book

Ch. 1 Fragment Descriptors in SAR/QSAR/QSPR Studies, Molecular Similarity Analysis and in Virtual Screening Igor Baskin Baskin, Igor Alexandre Varnek Varnek, Alexandre Ch. 2 Topological Pharmacophores Dragos Horvath Horvath, Dragos Ch. 3 Pharmacophore-based Virtual Screening in Drug Discovery Christian Laggner Laggner, Christian Gerhard Wolber Wolber, Gerhard Johannes Kirchmair Kirchmair, Johannes Daniela Schuster Schuster, Daniela Thierry Lunger Lunger, Thierry Ch. 4 Molecular Similarity Analysis in Virtual Screening Lisa Peltason Peltason, Lisa Jurgen Bajorath Bajorath, Jurgen Ch. 5 Molecular Field Topology Analysis in Drug Design and Virtual Screening Eugene V. Radchenko Radchenko, Eugene V. Vladimir A. Palyulin Palyulin, Vladimir A. Nikolay S. Zefirov Zefirov, Nikolay S.
Ch. 6 Probabilistic Approaches in Activity Prediction Dmitry Filimonov Filimonov, Dmitry Vladimir Poroikov Poroikov, Vladimir Ch. 7 Fragment-based De Novo Design of Drug-like Molecules Ewgenij Proschak Proschak, Ewgenij Yusuf Tanrikulu Tanrikulu, Yusuf Gisbert Schneider Schneider, Gisbert Ch. 8 Early ADME/T Predictions: Toy or Tool? Igor V. Tetko Tetko, Igor V. Tudor I. Oprea Oprea, Tudor I.
Ch. 9 Compound Library Design - Principles and Applications Weifan Zheng Zheng, Weifan Stephen R. Johnson Johnson, Stephen R.
Ch. 10 Integrated Chemo- and Bioinformatics Approaches to Virtual Screening Alexander Tropsha Tropsha, Alexander Subject Index