1. Unexpected metabolism could lead to the failure of many late-stage drug candidates or even the withdrawal of approved drugs. Thus, it is critical to predict and study the dominant routes of meta...

中文翻译：

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基于量子力学和机器学习预测第一相和第二相代谢途径

1. 意外的代谢可能导致许多后期候选药物的失败，甚至批准药物的撤回。因此，预测和研究元代谢的主要途径至关重要...