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pro vyhledávání: '"Austin H. Cheng"'
Autor:
Austin H. Cheng, Andy Cai, Santiago Miret, Gustavo Malkomes, Mariano Phielipp, Alán Aspuru-Guzik
We introduce Group SELFIES, a molecular string representation that leverages group tokens to represent functional groups or entire substructures while maintaining chemical robustness guarantees. Molecular string representations, such as SMILES and SE
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3d6f97ec722a29b961fd6eb4fccc34d2
http://arxiv.org/abs/2211.13322
http://arxiv.org/abs/2211.13322
Publikováno v:
Biophysical Journal. 116:190a
Publikováno v:
Biophysical Journal. 116:339a
Publikováno v:
Biophysical Journal. 116:476a