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在人类可成药基因组中，仍有相当大一部分尚未被小分子治疗药物靶向。随着AlphaFold等蛋白结构预测技术的突破，全基因组药物发现正逐渐成为现实。然而，现有的虚拟筛选工具远不能满足这一需求。无论是传统的分子对接方法，还是近年来发展的深度学习方法，其计算成本都过于高昂，难以覆盖基因组尺度的靶点筛选。

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（图片来源：《Science》）

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