In silico prediction of mitochondrial toxicity of chemicals using machine learning methods

We have explored the structural alerts of mitochondrial toxicity, which would be helpful for medicinal chemists to better predict mitochondrial toxicity and further optimize lead compounds

Piaopiao Zhao; Yayuan Peng; Xuan Xu; Zhiyuan Wang; Zengrui Wu; Weihua Li; Yun Tang; Guixia Liu


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