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Identification of the Structural Requirements for Mutagenicity by Incorporating Molecular Flexibility and Metabolic Activation of Chemicals I: TA100 Model

https://doi.org/10.1021/tx030049t
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A Mechanism-Mediated Model for Carcinogenicity: Model Content and Prediction of the Outcome of Rodent Carcinogenicity Bioassays Currently Being Conducted on 25 Organic Chemicals
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Additional file 1 of Screening and prioritising persistent, mobile and toxic chemicals: development and application of a robust scoring system
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