Reconstruction of lossless molecular representations from fingerprints

The simplified molecular-input line-entry system (SMILES) is the most prevalent molecular representation used in AI-based chemical applications. However, there are innate limitations associated with the internal structure of SMILES representations. In this context, this study exploits the resolution...

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Detalles Bibliográficos
Autores principales: Ucak, Umit V., Ashyrmamatov, Islambek, Lee, Juyong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9948316/
https://www.ncbi.nlm.nih.gov/pubmed/36823647
http://dx.doi.org/10.1186/s13321-023-00693-0

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9948316/
https://www.ncbi.nlm.nih.gov/pubmed/36823647
http://dx.doi.org/10.1186/s13321-023-00693-0

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