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What Does the Machine Learn? Knowledge Representations of Chemical Reactivity
In a departure from conventional chemical approaches, data-driven models of chemical reactions have recently been shown to be statistically successful using machine learning. These models, however, are largely black box in character and have not provided the kind of chemical insights that historical...
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| Udgivet i: | J Chem Inf Model |
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| Main Authors: | , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2020
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7166311/ https://ncbi.nlm.nih.gov/pubmed/32091880 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b00721 |
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