Interaction-Based Inductive Bias in Graph Neural Networks: Enhancing Protein-Ligand Binding Affinity Predictions From 3D Structures

Authors: Ziduo Yang, Weihe Zhong, Qiujie Lv, Tiejun Dong, Guanxing Chen, Calvin Yu-Chian Chen

Published: 2024-05-13

DOI: 10.1109/tpami.2024.3400515

Source: Full article

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Abstract

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