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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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Bibliografiske detaljer
Udgivet i:J Chem Inf Model
Main Authors: Jiang, Jian, Wang, Rui, Wei, Guo-Wei
Format: Artigo
Sprog:Inglês
Udgivet: 2021
Fag:
Online adgang: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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