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Product details:
- ISBN 10: 3030164438
- ISBN 13: 9783030164430
- Author: Science Huixiao
This book provides a comprehensive review of both traditional and cutting-edge methodologies that are currently used in computational toxicology and specifically features its application in regulatory decision making. The authors from various government agencies such as FDA, NCATS and NIEHS industry, and academic institutes share their real-world experience and discuss most current practices in computational toxicology and potential applications in regulatory science. Among the topics covered are molecular modeling and molecular dynamics simulations, machine learning methods for toxicity analysis, network-based approaches for the assessment of drug toxicity and toxicogenomic analyses. Offering a valuable reference guide to computational toxicology and potential applications in regulatory science, this book will appeal to chemists, toxicologists, drug discovery and development researchers as well as to regulatory scientists, government reviewers and graduate students interested in thisfield.
Table of contents:
1. Computational Toxicology Promotes Regulatory Science
Part I. Methods in Computational Toxicology
2. Background, Tasks, Modeling Methods, and Challenges for Computational Toxicology
3. Modelling Simple Toxicity Endpoints: Alerts, (Q)SARs and Beyond
4. Matrix and Tensor Factorization Methods for Toxicogenomic Modeling and Prediction
5. Cardio-oncology: Network-Based Prediction of Cancer Therapy-Induced Cardiotoxicity
6. Mode-of-Action-Guided, Molecular Modeling-Based Toxicity Prediction: A Novel Approach for In Silico Predictive Toxicology
7. A Review of Feature Reduction Methods for QSAR-Based Toxicity Prediction
8. An Overview of National Toxicology Program’s Toxicogenomic Applications: DrugMatrix and ToxFX
9. A Pair Ranking (PRank) Method for Assessing Assay Transferability Among the Toxicogenomics Testing Systems
10. Applications of Molecular Dynamics Simulations in Computational Toxicology
Part II. Applications in Regulatory Science
11. Applicability Domain: Towards a More Formal Framework to Express the Applicability of a Model and the Confidence in Individual Predictions
12. Application of Computational Methods for the Safety Assessment of Food Ingredients
13. Predicting the Risks of Drug-Induced Liver Injury in Humans Utilizing Computational Modeling
14. Predictive Modeling of Tox21 Data
15. In Silico Prediction of the Point of Departure (POD) with High-Throughput Data
16. Molecular Modeling Method Applications: Probing the Mechanism of Endocrine Disruptor Action
17. Xenobiotic Metabolism by Cytochrome P450 Enzymes: Insights Gained from Molecular Simulations
18. Integrating QSAR, Read-Across, and Screening Tools: The VEGAHUB Platform as an Example
19. OpenTox Principles and Best Practices for Trusted Reproducible In Silico Methods Supporting Research an
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