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Intracellular glutathione (GSH) concentrations in Ac-915 treated Hep3B... | Download Scientific Diagram

(42), m/z 145 is formed from BDMC keto form through a hydrogen transfer from benzene ring to C-4 and loss of a neutral moiety, in contrast m/z 119 is produced from BDMC enol form

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In each iteration, we randomly selected half number of trajectories as the training set for learning MSM and used the remaining trajectories as test set for scoring