7 citations · 10 across the 3 of their papers we have counts for
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q-bio.BM2023★ 3 cited
Multi-task Bioassay Pre-training for Protein-ligand Binding Affinity Prediction
Jiaxian Yan, Zhaofeng Ye, Ziyi Yang +4
Protein-ligand binding affinity (PLBA) prediction is the fundamental task in drug discovery. Recently, various deep learning-based models predict binding affinity by incorporating…
q-bio.BM2022★ 7 cited
Ligandformer: A Graph Neural Network for Predicting Compound Property with Robust Interpretation
Jinjiang Guo, Qi Liu, Han Guo +1
Robust and efficient interpretation of QSAR methods is quite useful to validate AI prediction rationales with subjective opinion (chemist or biologist expertise), understand sophis…