Part I. Computational Methods -- 1. Accessible machine learning approaches for toxicology -- 2. Quantum mechanics approaches in computational toxicology -- Part II. Applying Computers to Toxicology Assessment: Pharmaceutical, Industrial and Clinical -- 3. Computational approaches for predicting hERG activity -- 4. Computational toxicology for traditional Chinese Medicine -- 5. Pharmacophore models for toxicology prediction -- 6. Transporters in hepatotoxicity -- 7. Cheminformatics in a clinical setting -- Part III. Applying Computers to Toxicology Assessment: Environmental and Regulatory Perspectives -- 8. Computational tools for ADMET profiling -- 9. Computational toxicology and reach -- 10. Computational approaches to predicting dermal absorption of complex tropical mixtures -- Part IV. New Technologies for Toxicology, Future Perspectives -- 11. Big data in computational toxicology: challenges and opportunities -- 12. HLA-mediated adverse drug reactions: challenges and opportunities for predictive molecular modeling -- 13. Open science data repository for toxicology -- 14. Developing next generation tools for computational toxicology -- Index.