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http://dx.doi.org/10.1201/9780203913390
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Front MatterAbstract - Hi-Res PDF (363 KB) - PDF w/links (379 KB)
Chapter 1. Molecular Mechanics and Comparison of Force FieldsIngrid Pettersson, Tommy Liljefors, Klaus Gundertofte, Per-Ola NorrbyAbstract - Hi-Res PDF (611 KB) - PDF w/links (643 KB)
Chapter 2. Semiempirical MethodsThomas BredowAbstract - Hi-Res PDF (499 KB) - PDF w/links (557 KB)
Chapter 3. Wave Function–Based Quantum ChemistryPoul JØRgensen, Jeppe Olsen, Trygve Helgaker, Wim KlopperAbstract - Hi-Res PDF (594 KB) - PDF w/links (622 KB)
Chapter 4. Density-Functional TheoryWeitao Yang, Paul W. AyersAbstract - Hi-Res PDF (492 KB) - PDF w/links (528 KB)
Chapter 5. Hybrid Quantum Mechanical/Molecular Mechanical MethodsJean-Louis RivailAbstract - Hi-Res PDF (582 KB) - PDF w/links (513 KB)
Chapter 6. Accuracy and Applicability of Quantum Chemical Methods in Computational Medicinal ChemistryHenry F. Schaefer, Christopher J. BardenAbstract - Hi-Res PDF (1258 KB) - PDF w/links (571 KB)
Chapter 7. 3D Structure Generation and Conformational SearchingJens Sadowski, Johann Gasteiger, Christof H. SchwabAbstract - Hi-Res PDF (1119 KB) - PDF w/links (1121 KB)
Chapter 8. Molecular Electrostatic PotentialsJane S. Murray, Peter PolitzerAbstract - Hi-Res PDF (740 KB) - PDF w/links (647 KB)
Chapter 9. Nonbonded InteractionsSteve ScheinerAbstract - Hi-Res PDF (1157 KB) - PDF w/links (953 KB)
Chapter 10. Solvent SimulationJill E. Gready, Andrey A. Bliznyuk, Peter L. CumminsAbstract - Hi-Res PDF (529 KB) - PDF w/links (596 KB)
Chapter 11. Reactivity DescriptorsB. Maiti, P. K. Chattaraj, S. NathAbstract - Hi-Res PDF (446 KB) - PDF w/links (529 KB)
Chapter 12. Transition States and Transition StructuresJeffrey D. Evanseck, Orlando AcevedoAbstract - Hi-Res PDF (464 KB) - PDF w/links (509 KB)
Chapter 13. Molecular Similarity, Quantum Topology, and ShapePaul G. MezeyAbstract - Hi-Res PDF (427 KB) - PDF w/links (442 KB)
Chapter 14. Quantum Similarity and Quantitative Structure–Activity RelationshipsRamon Carbo´ -Dorca, Xavier Girone´ SAbstract - Hi-Res PDF (473 KB) - PDF w/links (503 KB)
Chapter 15. Protein StructuresRob W.W. Hooft, Chris A.E.M. Spronk, Sander B. Nabuurs, Elmar Krieger, Gert VriendAbstract - Hi-Res PDF (518 KB) - PDF w/links (540 KB)
Chapter 16. Docking and ScoringIngo Muegge, Istvan EnyedyAbstract - Hi-Res PDF (1429 KB) - PDF w/links (1065 KB)
Chapter 17. Pharmacophore DiscoveryJohn H. Van DrieAbstract - Hi-Res PDF (522 KB) - PDF w/links (560 KB)
Chapter 18. Use of 3D Pharmacophore Models in 3D Database SearchingSonja Meddeb, Thierry Langer, Re´My D. HoffmannAbstract - Hi-Res PDF (538 KB) - PDF w/links (576 KB)
Chapter 19. Substructure and Maximal Common Substructure SearchingLingran ChenAbstract - Hi-Res PDF (471 KB) - PDF w/links (495 KB)
Chapter 20. Molecular DescriptorsGeoff M. DownsAbstract - Hi-Res PDF (440 KB) - PDF w/links (467 KB)
Chapter 21. 2D QSAR ModelsHugo KubinyiAbstract - Hi-Res PDF (504 KB) - PDF w/links (546 KB)
Chapter 22. 3D QSAR Modeling in Drug DesignTudor I. OpreaAbstract - Hi-Res PDF (1946 KB) - PDF w/links (1430 KB)
Chapter 23. Computational Aspects of Library Design and Combinatorial ChemistryValerie J. GilletAbstract - Hi-Res PDF (566 KB) - PDF w/links (587 KB)
Chapter 24. Quantum-Chemical Descriptors in QSARMati KarelsonAbstract - Hi-Res PDF (468 KB) - PDF w/links (518 KB)
Chapter 25. Data Mining Applications in Drug DiscoveryMichael F.M. Engels, Theo H. ReijmersAbstract - Hi-Res PDF (1150 KB) - PDF w/links (873 KB)
Chapter 26. Vibrational Circular Dichroism SpectroscopyPhilip J. StephensAbstract - Hi-Res PDF (502 KB) - PDF w/links (523 KB)
Chapter 27. SialidasesJennifer C. Wilson, Jeffrey C. Dyason, Mark Von ItzsteinAbstract - Hi-Res PDF (535 KB) - PDF w/links (578 KB)
GlossaryEd E. MoretAbstract - Hi-Res PDF (455 KB) - PDF w/links (455 KB)
