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

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Year: 2025
Type: preprint
Source: Research Square
DOI: 10.21203/rs.3.rs-6103978/v1
Authors: Kerstin von Borries, Katie Beckwith, Jonathan Goodman, Weihsueh Chiu, Olivier Jolliet, Peter Fantke
Institutions: Technical University of Denmark, University of Cambridge, Texas A&M University
Language: English

Topic: Computational Drug Discovery Methods
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
SDG: Good health and well-being

Open Access status: green

Funders: Stiftelsen för Miljöstrategisk Forskning, National Institutes of Health, Engineering and Physical Sciences Research Council
Awards: EPSRC Centre for Doctoral Training in Automated Chemical Synthesis Enabled by Digital Molecular Technologies, G698049571, G8640770329, G8845531966, G9000053967, G9000116430, G9000183856, G9000225865
OpenAlex ID: W4408175362
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