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Efficient prediction of reaction paths through molecular graph and reaction network analysis
Despite remarkable advances in computational chemistry, prediction of reaction mechanisms is still challenging, because investigating all possible reaction pathways is computationally prohibitive due to the high complexity of chemical space. A feasible strategy for efficient prediction is to utilize...
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| Publicado no: | Chem Sci |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Royal Society of Chemistry
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5887236/ https://ncbi.nlm.nih.gov/pubmed/29675146 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7sc03628k |
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