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Atom mapping with constraint programming
Chemical reactions are rearrangements of chemical bonds. Each atom in an educt molecule thus appears again in a specific position of one of the reaction products. This bijection between educt and product atoms is not reported by chemical reaction databases, however, so that the “Atom Mapping Problem...
Guardat en:
| Publicat a: | Algorithms Mol Biol |
|---|---|
| Autors principals: | , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
BioMed Central
2014
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4256833/ https://ncbi.nlm.nih.gov/pubmed/25484913 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13015-014-0023-3 |
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