HIGHLIGHTS
- who: Ayan Chatterjee from the (UNIVERSITY) have published the paper: Improving the generalizability of protein-ligand binding predictions with AI-Bind, in the Journal: (JOURNAL) of 16/05/2022
- what: While deep learning models have been proposed to accelerate the identification process, here the authors show that state-of-the-art models fail to generalize to novel (i.e., never-before-seen) structures. While binding depends only on the detailed chemical characteristics of the nodes (proteins and ligands), as the authors show here, many ML models predictions are primarily driven by the topology of the . . .
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