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Accurate clinical toxicity prediction using multi-task deep neural nets and contrastive molecular explanations
Explainable machine learning for molecular toxicity prediction is a promising approach for efficient drug development and chemical safety. A predictive ML model of toxicity can reduce experimental cost and time while mitigating ethical concerns by significantly reducing animal and clinical testing....
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10039880/ https://www.ncbi.nlm.nih.gov/pubmed/36966203 http://dx.doi.org/10.1038/s41598-023-31169-8 |