Multi-PLI: interpretable multi-task deep learning model for unifying protein-ligand interaction datasets

Hu, F; Jiang, JX; Wang, DQ; Zhu, MC; Yin, P

Yin, P (corresponding author), Chinese Acad Sci, Shenzhen Inst Adv Technol, Guangdong Hong Kong Macao Joint Lab Human Machine, Shenzhen 518055, Peoples R China.

JOURNAL OF CHEMINFORMATICS, 2021; 13 (1):

Abstract

The assessment of protein-ligand interactions is critical at early stage of drug discovery. Computational approaches for efficiently predicting such i......

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