Chemical toxicity prediction based on semi-supervised learning and graph convolutional neural network
Abstract As safety is one of the most important properties of drugs, chemical toxicology prediction has received increasing attentions in the drug discovery research. Traditionally, researchers rely on in vitro and in vivo experiments to test the toxicity of chemical compounds. However, not only are...
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| Principais autores: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
BMC
2021-11-01
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| coleção: | Journal of Cheminformatics |
| Assuntos: | |
| Acesso em linha: | https://doi.org/10.1186/s13321-021-00570-8 |
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