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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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BioMed Central
2022
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| 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 |