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Computational Derivation of Structural Alerts from Large Toxicology Data Sets

https://doi.org/10.1021/ci500314a
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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What points at this work

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Evaluation of Different Methods for Identification of Structural Alerts Using Chemical Ames Mutagenicity Data Set as a Benchmark
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Prediction and Optimization of NaV1.7 Sodium Channel Inhibitors Based on Machine Learning and Simulated Annealing
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Computational Strategies for Assessing Adverse Outcome Pathways: Hepatic Steatosis as a Case Study
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