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Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions
Published reports of chemical compounds often contain multiple machine-readable descriptions which may supplement each other in order to yield coherent and complete chemical representations. This publication presents a method to cross-check such descriptions using a canonical representation and isom...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9948373/ https://www.ncbi.nlm.nih.gov/pubmed/36814296 http://dx.doi.org/10.1186/s13321-023-00692-1 |