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GGL-Tox: Geometric Graph Learning for Toxicity Prediction

Toxicity analysis is a major challenge in drug design and discovery. Recently significant progress has been made through machine learning due to its accuracy, efficiency, and lower cost. US Toxicology in the 21st Century (Tox21) screened a large library of compounds, including approximately 12 000 e...

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Detalhes bibliográficos
Publicado no:J Chem Inf Model
Main Authors: Jiang, Jian, Wang, Rui, Wei, Guo-Wei
Formato: Artigo
Idioma:Inglês
Publicado em: 2021
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8155789/
https://ncbi.nlm.nih.gov/pubmed/33719422
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.0c01294
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