Investigation of chemical structure recognition by encoder–decoder models in learning progress

Descriptor generation methods using latent representations of encoder–decoder (ED) models with SMILES as input are useful because of the continuity of descriptor and restorability to the structure. However, it is not clear how the structure is recognized in the learning progress of ED models. In thi...

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Detalles Bibliográficos
Autores principales: Nemoto, Shumpei, Mizuno, Tadahaya, Kusuhara, Hiroyuki
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10100163/
https://www.ncbi.nlm.nih.gov/pubmed/37046349
http://dx.doi.org/10.1186/s13321-023-00713-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10100163/
https://www.ncbi.nlm.nih.gov/pubmed/37046349
http://dx.doi.org/10.1186/s13321-023-00713-z

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