Molecular property prediction by contrastive learning with attention-guided positive sample selection

MOTIVATION: Predicting molecular properties is one of the fundamental problems in drug design and discovery. In recent years, self-supervised learning (SSL) has shown its promising performance in image recognition, natural language processing, and single-cell data analysis. Contrastive learning (CL)...

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Detalles Bibliográficos
Autores principales: Wang, Jinxian, 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/PMC10188298/
https://www.ncbi.nlm.nih.gov/pubmed/37079731
http://dx.doi.org/10.1093/bioinformatics/btad258

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10188298/
https://www.ncbi.nlm.nih.gov/pubmed/37079731
http://dx.doi.org/10.1093/bioinformatics/btad258

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