Variational autoencoder-based chemical latent space for large molecular structures with 3D complexity

The structural diversity of chemical libraries, which are systematic collections of compounds that have potential to bind to biomolecules, can be represented by chemical latent space. A chemical latent space is a projection of a compound structure into a mathematical space based on several molecular...

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Detalles Bibliográficos
Autores principales: Ochiai, Toshiki, Inukai, Tensei, Akiyama, Manato, Furui, Kairi, Ohue, Masahito, Matsumori, Nobuaki, Inuki, Shinsuke, Uesugi, Motonari, Sunazuka, Toshiaki, Kikuchi, Kazuya, Kakeya, Hideaki, Sakakibara, Yasubumi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10654724/
https://www.ncbi.nlm.nih.gov/pubmed/37973971
http://dx.doi.org/10.1038/s42004-023-01054-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10654724/
https://www.ncbi.nlm.nih.gov/pubmed/37973971
http://dx.doi.org/10.1038/s42004-023-01054-6

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