A merged molecular representation learning for molecular properties prediction with a web-based service

Deep learning has brought a dramatic development in molecular property prediction that is crucial in the field of drug discovery using various representations such as fingerprints, SMILES, and graphs. In particular, SMILES is used in various deep learning models via character-based approaches. Howev...

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Detalles Bibliográficos
Autores principales: Kim, Hyunseob, Lee, Jeongcheol, Ahn, Sunil, Lee, Jongsuk Ruth
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8155205/
https://www.ncbi.nlm.nih.gov/pubmed/34040026
http://dx.doi.org/10.1038/s41598-021-90259-7

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8155205/
https://www.ncbi.nlm.nih.gov/pubmed/34040026
http://dx.doi.org/10.1038/s41598-021-90259-7

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