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- Title
A Multi-perspective Model for Protein–Ligand-Binding Affinity Prediction.
- Authors
Zhang, Xianfeng; Li, Yafei; Wang, Jinlan; Xu, Guandong; Gu, Yanhui
- Abstract
Gathering information from multi-perspective graphs is an essential issue for many applications especially for protein–ligand-binding affinity prediction. Most of traditional approaches obtained such information individually with low interpretability. In this paper, we harness the rich information from multi-perspective graphs with a general model, which abstractly represents protein–ligand complexes with better interpretability while achieving excellent predictive performance. In addition, we specially analyze the protein–ligand-binding affinity problem, taking into account the heterogeneity of proteins and ligands. Experimental evaluations demonstrate the effectiveness of our data representation strategy on public datasets by fusing information from different perspectives. All codes are available in the https://github.com/Jthy-af/HaPPy.
- Subjects
LANGUAGE models; FORECASTING; LIGAND binding (Biochemistry)
- Publication
Interdisciplinary Sciences: Computational Life Sciences, 2023, Vol 15, Issue 4, p696
- ISSN
1913-2751
- Publication type
Article
- DOI
10.1007/s12539-023-00582-y