A systematic study of key elements underlying molecular property prediction

Artificial intelligence (AI) has been widely applied in drug discovery with a major task as molecular property prediction. Despite booming techniques in molecular representation learning, key elements underlying molecular property prediction remain largely unexplored, which impedes further advanceme...

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Detalles Bibliográficos
Autores principales: Deng, Jianyuan, Yang, Zhibo, Wang, Hehe, Ojima, Iwao, Samaras, Dimitris, Wang, Fusheng
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/PMC10575948/
https://www.ncbi.nlm.nih.gov/pubmed/37833262
http://dx.doi.org/10.1038/s41467-023-41948-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10575948/
https://www.ncbi.nlm.nih.gov/pubmed/37833262
http://dx.doi.org/10.1038/s41467-023-41948-6

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