It covers both the method developments and their applications.
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This book series provides reviews on the most recent developments in computational chemistry and physics. Series Editor Jerzy Leszczynski Department of Chemistry and Biochemistry Jackson State University, Jackson, MS, USA Pages 405-412 Citation previewĬhallenges and Advances in Computational Chemistry and Physics 30 Series Editor: Jerzy LeszczynskiĪdvances in Computational Toxicology Methodologies and Applications in Regulatory ScienceĬhallenges and Advances in Computational Chemistry and Physics Volume 30 OpenTox Principles and Best Practices for Trusted Reproducible In Silico Methods Supporting Research and Regulatory Applications in Toxicological Science (Barry Hardy, Daniel Bachler, Joh Dokler, Thomas Exner, Connor Hardy, Weida Tong et al.).Pages 383-403īack Matter.
Integrating QSAR, Read-Across, and Screening Tools: The VEGAHUB Platform as an Example (Emilio Benfenati, Alessandra Roncaglioni, Anna Lombardo, Alberto Manganaro).Pages 365-381 Xenobiotic Metabolism by Cytochrome P450 Enzymes: Insights Gained from Molecular Simulations (Zhiqiang Fu, Jingwen Chen).Pages 337-364 Molecular Modeling Method Applications: Probing the Mechanism of Endocrine Disruptor Action (Xianhai Yang, Huihui Liu, Rebecca Kusko).Pages 315-335 In Silico Prediction of the Point of Departure (POD) with High-Throughput Data (Dong Wang).Pages 299-313
Predictive Modeling of Tox21 Data (Ruili Huang).Pages 279-297 Predicting the Risks of Drug-Induced Liver Injury in Humans Utilizing Computational Modeling (Minjun Chen, Jieqiang Zhu, Kristin Ashby, Leihong Wu, Zhichao Liu, Ping Gong et al.).Pages 259-278 Auerbach).Pages 141-157Ī Pair Ranking (PRank) Method for Assessing Assay Transferability Among the Toxicogenomics Testing Systems (Zhichao Liu, Brian Delavan, Liyuan Zhu, Ruth Robert, Weida Tong).Pages 159-180Īpplications of Molecular Dynamics Simulations in Computational Toxicology (Sugunadevi Sakkiah, Rebecca Kusko, Weida Tong, Huixiao Hong).Pages 181-212Īpplicability Domain: Towards a More Formal Framework to Express the Applicability of a Model and the Confidence in Individual Predictions (Thierry Hanser, Chris Barber, Sébastien Guesné, Jean François Marchaland, Stéphane Werner).Pages 215-232Īpplication of Computational Methods for the Safety Assessment of Food Ingredients (Patra Volarath, Yu (Janet) Zang, Shruti V. Mode-of-Action-Guided, Molecular Modeling-Based Toxicity Prediction: A Novel Approach for In Silico Predictive Toxicology (Ping Gong, Sundar Thangapandian, Yan Li, Gabriel Idakwo, Joseph Luttrell IV, Minjun Chen et al.).Pages 99-118Ī Review of Feature Reduction Methods for QSAR-Based Toxicity Prediction (Gabriel Idakwo, Joseph Luttrell IV, Minjun Chen, Huixiao Hong, Ping Gong, Chaoyang Zhang).Pages 119-139Īn Overview of National Toxicology Program’s Toxicogenomic Applications: DrugMatrix and ToxFX (Daniel L.
Khan, Tero Aittokallio, Andreas Scherer, Roland Grafström, Pekka Kohonen).Pages 57-74Ĭardio-oncology: Network-Based Prediction of Cancer Therapy-Induced Cardiotoxicity (Feixiong Cheng).Pages 75-97 Matrix and Tensor Factorization Methods for Toxicogenomic Modeling and Prediction (Suleiman A. Modelling Simple Toxicity Endpoints: Alerts, (Q)SARs and Beyond (Richard Williams, Martyn Chilton, Donna Macmillan, Alex Cayley, Lilia Fisk, Mukesh Patel).Pages 37-55 Computational Toxicology Promotes Regulatory Science (Rebecca Kusko, Huixiao Hong).Pages 1-11īackground, Tasks, Modeling Methods, and Challenges for Computational Toxicology (Zhongyu Wang, Jingwen Chen).Pages 15-36
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