Work

3D Spatial Learning for Adsorption Energy Prediction in Multi-Temporal Solution Systems: The MTSS Data Set and a GCN-Based Network

Year: 2025

Type: article

Source: Journal of Chemical Information and Modeling

DOI: 10.1021/acs.jcim.5c00645

Authors: Lanqi Li, Rui Luo, Xiaolu Chen, Huapeng Wei, Wenming Zhang, Qiang Lu, Weiming Dong, Jianmei Lu, Bing Zhang, Fan Tang

Institutions: Zhengzhou University, North China Electric Power University, Jilin University, Chinese Academy of Sciences, Institute of Automation, Soochow University, Institute of Computing Technology

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: closed

Funder: National Natural Science Foundation of China

Awards: G4299799593, G5950438931, G7938239059

OpenAlex ID: W4413994143

FWCI:

Cites: 54

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Related to: 10