Best Practices for QSAR Model Reporting: Physical and Chemical Properties, Ecotoxicity, Environmental Fate, Human Health, and Toxicokinetics Endpoints.

Observations across the Endpoints The systematic analysis of 1,533 published scientific articles involving QSAR models covering various physical and chemical properties, ecotoxicity, environmental fate, human health, and toxicokinetics endpoints brings forward a worrying trend—overall, 57.5% of QSAR articles lacked some details about the dataset or the model representation that would make the independent verification and reproduction of these models impossible or very difficult.

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