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Integrative approaches for chemical safety assessmen of new chemicals by combining structural alerts and QSAR models
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Classroom Contents
Methods and Models for Chemical Toxicity Prediction - 2022
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- 1 Intro
- 2 Proliferation of non-animal methods (NAMs) for toxicity testing
- 3 Computational and in vitro toxicology market trends
- 4 Major classes of approaches to toxicity prediction: Structural alerts vs. QSAR
- 5 Alerts vs. QSAR: examination of tertiary amine or arylchoride cardiotoxicity (hERG blockage) alerts
- 6 Chemical Alerts of Toxicity: what are they for, really?
- 7 Integrative approaches for chemical safety assessmen of new chemicals by combining structural alerts and QSAR models
- 8 Descriptor Integration approach (CBRA) Predicting Subchronic Hepatotoxicity from 24h Toxicogenomics Profiles
- 9 Conflicting Predictions by QSAR and Toxicogenomics Models
- 10 Chemical-biological read-across (CBRA): learning from both sets of neighbors
- 11 QSAR Modeling Workflow: the importance of rigorous validation
- 12 Computational models to predict the outcomes of the "six-pack" battery of acute toxicity tests
