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Investigation of the structure-odor relationship using a Transformer model

The relationships between molecular structures and their properties are subtle and complex, and the properties of odor are no exception. Molecules with similar structures, such as a molecule and its optical isomer, may have completely different odors, whereas molecules with completely distinct struc...

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Detalles Bibliográficos
Autores principales: Zheng, Xiaofan, Tomiura, Yoichi, Hayashi, Kenshi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9798546/
https://www.ncbi.nlm.nih.gov/pubmed/36581889
http://dx.doi.org/10.1186/s13321-022-00671-y