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Artificial intelligence pathway search to resolve catalytic glycerol hydrogenolysis selectivity
The complex interaction between molecules and catalyst surfaces leads to great difficulties in understanding and predicting the activity and selectivity in heterogeneous catalysis. Here we develop an end-to-end artificial intelligence framework for the activity prediction of heterogeneous catalytic...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9278456/ https://www.ncbi.nlm.nih.gov/pubmed/35919423 http://dx.doi.org/10.1039/d2sc02107b |