Molecular property prediction by semantic-invariant contrastive learning

MOTIVATION: Contrastive learning has been widely used as pretext tasks for self-supervised pre-trained molecular representation learning models in AI-aided drug design and discovery. However, existing methods that generate molecular views by noise-adding operations for contrastive learning may face...

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Detalles Bibliográficos
Autores principales: Zhang, Ziqiao, Xie, Ailin, Guan, Jihong, Zhou, Shuigeng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10397537/
https://www.ncbi.nlm.nih.gov/pubmed/37505457
http://dx.doi.org/10.1093/bioinformatics/btad462

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10397537/
https://www.ncbi.nlm.nih.gov/pubmed/37505457
http://dx.doi.org/10.1093/bioinformatics/btad462

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