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Shaolun Yao1,2,3, Jie Song3,4, Lingxiang Jia2

  • 1Collaborative Innovation Center of Artificial Intelligence by MOE and Zhejiang Provincial Government, Zhejiang University, 310027, Hangzhou, China.

PubMed
概括

基于主要梯度的测量 (PGM) 量化了分子性质预测任务之间的可转移性. 这种方法指导了源数据集的选择,提高了目标任务的性能,加速了药物发现.