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Graph-Driven Reaction Discovery: Progress, Challenges, and Future Opportunities
[Image: see text] Graph-based descriptors, such as bond-order matrices and adjacency matrices, offer a simple and compact way of categorizing molecular structures; furthermore, such descriptors can be readily used to catalog chemical reactions (i.e., bond-making and -breaking). As such, a number of...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9574932/ https://www.ncbi.nlm.nih.gov/pubmed/36190262 http://dx.doi.org/10.1021/acs.jpca.2c06408 |