Fate-tox: fragment attention transformer for E(3)-equivariant multi-organ toxicity prediction
Abstract Toxicity is a critical hurdle in drug development, often causing the late-stage failure of promising compounds. Existing computational prediction models often focus on single-organ toxicity. However, avoiding toxicity of an organ, such as reducing gastrointestinal side effects, may inadvert...
Furkejuvvon:
| Váldodahkkit: | , , |
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| Materiálatiipa: | Artigo |
| Giella: | Inglês |
| Almmustuhtton: |
BMC
2025-05-01
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| Ráidu: | Journal of Cheminformatics |
| Fáttát: | |
| Liŋkkat: | https://doi.org/10.1186/s13321-025-01012-5 |
| Fáddágilkorat: |
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