Bookedited by Sean Ekins.
Contents:
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.