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...

Descripción completa

Detalles Bibliográficos
Autores principales: Brammer, Jan C., Blanke, Gerd, Kellner, Claudia, Hoffmann, Alexander, Herres-Pawlis, Sonja, Schatzschneider, Ulrich
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Research
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

Internet

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

Ejemplares similares