一个 in silico 方案,以优化基于机器学习和虚拟消化自然生物活性的酶获取,基于机器学习和虚拟消化

Like Lin1, Cong Li1, Tianlong Zhang1

  • 1Key Laboratory of Synthetic and Natural Functional Molecule of Ministry of Education, College of Chemistry and Materials Science, National Demonstration Center for Experimental Chemistry Education, Northwest University, Xi'an, Shaanxi, 710127, People's Republic of China.

Analytica chimica acta
|March 10, 2024
PubMed
概括

一种新的计算方法,SSA-LSTM-VD,改善了自然生物活性 (NBAPs) 的发现. 这种方法准确地预测了活性,并优化了蛋白酶选择,以获得高效的NBAP.