对于分子性质预测的任务特定预培训

Wenbo Zhang1, Yihui Wang2, Jin Liu3

  • 1School of Computer Science and Technology, Xidian University, 266 Xinglong Section of Xifeng Road, Xi'an 710126, Shaanxi, China.

PubMed
概括

我们开发了TasProp,这是一个特定任务的预培训策略,以改善有限数据的分子性质预测. 这种方法增强了模型的概括性,并优于药物发现任务的现有方法.

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