Exploration of chemical space with partial labeled noisy student self-training and self-supervised graph embedding

BACKGROUND: Drug discovery is time-consuming and costly. Machine learning, especially deep learning, shows great potential in quantitative structure–activity relationship (QSAR) modeling to accelerate drug discovery process and reduce its cost. A big challenge in developing robust and generalizable...

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Detalles Bibliográficos
Autores principales: Liu, Yang, Lim, Hansaim, Xie, Lei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2022
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9063120/
https://www.ncbi.nlm.nih.gov/pubmed/35501680
http://dx.doi.org/10.1186/s12859-022-04681-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9063120/
https://www.ncbi.nlm.nih.gov/pubmed/35501680
http://dx.doi.org/10.1186/s12859-022-04681-3

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