Canonicalizing BigSMILES for Polymers with Defined Backbones

[Image: see text] BigSMILES, a line notation for encapsulating the molecular structure of stochastic molecules such as polymers, was recently proposed as a compact and readable solution for writing macromolecules. While BigSMILES strings serve as useful identifiers for reconstructing the molecular c...

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Detalles Bibliográficos
Autores principales: Lin, Tzyy-Shyang, Rebello, Nathan J., Lee, Guang-He, Morris, Melody A., Olsen, Bradley D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9761857/
https://www.ncbi.nlm.nih.gov/pubmed/36561286
http://dx.doi.org/10.1021/acspolymersau.2c00009

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9761857/
https://www.ncbi.nlm.nih.gov/pubmed/36561286
http://dx.doi.org/10.1021/acspolymersau.2c00009

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