Cargando…
Quantitative interpretation explains machine learning models for chemical reaction prediction and uncovers bias
Organic synthesis remains a major challenge in drug discovery. Although a plethora of machine learning models have been proposed as solutions in the literature, they suffer from being opaque black-boxes. It is neither clear if the models are making correct predictions because they inferred the salie...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2021
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7966799/ https://www.ncbi.nlm.nih.gov/pubmed/33727552 http://dx.doi.org/10.1038/s41467-021-21895-w |