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Recent advances in the self-referencing embedded strings (SELFIES) library

String-based molecular representations play a crucial role in cheminformatics applications, and with the growing success of deep learning in chemistry, have been readily adopted into machine learning pipelines. However, traditional string-based representations such as SMILES are often prone to synta...

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Detalles Bibliográficos
Autores principales: Lo, Alston, Pollice, Robert, Nigam, AkshatKumar, White, Andrew D., Krenn, Mario, Aspuru-Guzik, Alán
Formato: Online Artículo Texto
Lenguaje:English
Publicado: RSC 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10408573/
https://www.ncbi.nlm.nih.gov/pubmed/38013816
http://dx.doi.org/10.1039/d3dd00044c