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Dedication…Preface…Table of Contents…Contributing Authors… Part I Where We Are and Where We Are Going To1. Molecular Descriptors For Structure-Activity Applications: A Hands-On ApproachFrancesca Grisoni, Davide Ballabio, Roberto Todeschini, and Viviana Consonni 2. The OECD QSAR Toolbox Starts Its Second DecadeTerry W. Schultz, Robert Diderich, Chanita D. Kuseva, and Ovanes G. Mekenyan3. QSAR: What Else? Giuseppina Gini4. (Q)SARs as Adaptations to REACH Information RequirementsToni Alasuvanto, Andrea Gissi, Tomasz Sobanski, Panagiotis Karamertzanis, and Mike RasenbergPart II Molecular and Data Modeling5. Machine Learning Methods In Computational Toxicology Igor I. Baskin6. Applicability Domain: A Step Toward Confident Predictions And Decidability for QSAR ModelingSupratik Kar, Kunal Roy, and Jerzy Leszczynski7. Molecular Similarity In Computational ToxicologyMatteo Floris and Stefania Olla 8. Molecular Docking for Predictive ToxicologyDaniela Trisciuzzi, Domenico Alberga, Francesco Leonetti, Ettore Novellino, Orazio Nicolotti, and Giuseppe F. Mangiatordi9. Criteria and Application on the use of Non-Testing Methods within a Weight of Evidence StrategyAnna Lombardo, Giuseppa Raitano, Domenico Gadaleta, and Emilio Benfenati10. Characterization and Management of Uncertainties in Toxicological Risk Assessment: Examples from the Opinions of the European Food Safety AuthorityAlberto MantovaniPart III Impact in Drug Discovery and Development11. Computational Toxicology and Drug DiscoveryCatrin Hasselgren and Glenn J. Myatt12. Approaching Pharmacological Space: Events and ComponentsGiulio Vistoli, Alessandro Pedretti, Angelica Mazzolari, and Bernard Testa13. Computational Toxicology Methods in Chemical Library Design and High-Throughput Screening Hit ValidationKirk E. Hevener14. Enalos Suite: New Cheminformatics Platform for Drug Discovery and Computational Toxicology Dimitra-Danai Varsou, Spyridon Nikolakopoulos, Andreas Tsoumanis, Georgia Melagraki, and Antreas Afantitis15. Ion Channels In Drug Discovery and Safety Pharmacology Paola Imbrici, Orazio Nicolotti, Francesco Leonetti, Diana Conte, and Antonella Liantonio 16. Computational Approaches in Multi-Target Drug DiscoveryLuciana Scotti, Hamilton M. Ishiki, Marcelo Cavalcante Duarte, Tiago Branquinho Oliveira, and Marcus T. Scotti17. Nano-Formulations for Drug Delivery: Safety, Toxicity, and EfficacyAntonio Lopalco and Nunzio Denora18. Toxicity Potential Of NutraceuticalsRamesh C. Gupta, Ajay Srivastava, and Rajiv Lall19. Impact of Pharmaceuticals on the Environment: Risk Assessment using QSAR Modeling ApproachSupratik Kar, Kunal Roy, and Jerzy LeszczynskiPart IV Predicting Human Health Toxicology Endpoints20. (Q)SAR Methods for Predicting Genotoxicity and Carcinogenicity: Scientific Rationale and Regulatory FrameworksCecilia Bossa, Romualdo Benigni, Olga Tcheremenskaia, and Chiara Laura Battistelli21. Stem Cell-Based Methods to Predict Developmental Chemical ToxicityHiroki Takahashi, Xian-Yang Qin, Hideko Sone, and Wataru Fujibuchi22. Predicting Chemically-Induced Skin Sensitisation by using In Chemico/In Vitro MethodsLaura H. Rossi and Janine Ezendam23. Hepatotoxicity Prediction by Systems Biology Modeling of Disturbed Metabolic Pathways using Gene Expression DataOriol López-Massaguer, Manuel Pastor, Ferran Sanz, and Pablo Carbonell24. Non-Test Methods to Predict Acute Toxicity: State of Art for Applications of In Silico MethodsRonan Bureau 25. Predictive Systems ToxicologyNarsis A. Kiani, Ming-Mei Shang, Hector Zenil, and Jesper Tegner26. Chemoinformatic Approach to Assess Toxicity of Ionic LiquidsAnita Sosnowska, Anna Rybinska-Fryca, Maciej Barycki, Karolina Jagiello, and Tomasz Puzyn27. Prediction of Biochemical Endpoints by the CORAL Software: Prejudices, Paradoxes, and ResultsAndrey A. Toropov, Alla P. Toropova, Alessandra Roncaglioni, and Emilio Benfenati