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Chemical toxicity prediction based on semi-supervised learning and graph convolutional neural network

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 these ex...

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Detalles Bibliográficos
Autores principales: Chen, Jiarui, Si, Yain-Whar, Un, Chon-Wai, Siu, Shirley W. I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8627024/
https://www.ncbi.nlm.nih.gov/pubmed/34838140
http://dx.doi.org/10.1186/s13321-021-00570-8