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Proinflammatory cytokines, such as tumor necrosis factor-alpha (TNF-), interleukin-1 beta, and interferon-gamma (IFN-), promote ROS production, while ROS scavengers such as pyrrolidine dithiocarbamate and N-acetyl-cysteine (NAC) can reduce the ROS levels induced by these cytokines 14

We observed that the performance of the non-pretrained model was essentially identical to that reported for DeepMet in the original manuscript, in terms of the top-1 and top- k accuracies, the Tanimoto coefficient between the prioritized and true structures, and the proportion of withheld metabolites that were ever generated by the non-pretrained model (Supplementary Fig

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