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TUCAN: A molecular identifier and descriptor applicable to the whole periodic table from hydrogen to oganesson
TUCAN is a canonical serialization format that is independent of domain-specific concepts of structure and bonding. The atomic number is the only chemical feature that is used to derive the TUCAN format. Other than that, the format is solely based on the molecular topology. Validation is reported on...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9520877/ https://www.ncbi.nlm.nih.gov/pubmed/36171627 http://dx.doi.org/10.1186/s13321-022-00640-5 |