Uncertainty-aware machine learning to predict non-cancer human toxicity for the global chemicals market

Uncertainty-aware machine learning models predict human toxicity for more than 100,000 chemicals, highlighting potency and uncertainty hotspots to guide safer use and to focus efforts to improve prediction confidence.

Author: Kerstin von Borries, Katie V. Beckwith, Jonathan M. Goodman, Weihsueh A. Chiu, Olivier Jolliet, Peter Fantke

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