I‑GAT: Interpretable Graph Attention Networks for Ligand Optimization
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2025-07-01
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| Series: | ACS Omega |
| Online Access: | https://doi.org/10.1021/acsomega.5c02173 |
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| _version_ | 1849774203848359936 |
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| author | Ezek Mathew Kyle A. Emmitte Jin Liu |
| author_facet | Ezek Mathew Kyle A. Emmitte Jin Liu |
| author_sort | Ezek Mathew |
| collection | DOAJ |
| format | Article |
| id | doaj-art-80f278e06f6b4b85ba262a95f2db067b |
| institution | DOAJ |
| issn | 2470-1343 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | ACS Omega |
| spelling | doaj-art-80f278e06f6b4b85ba262a95f2db067b2025-08-20T03:01:47ZengAmerican Chemical SocietyACS Omega2470-13432025-07-011030329683298610.1021/acsomega.5c02173I‑GAT: Interpretable Graph Attention Networks for Ligand OptimizationEzek Mathew0Kyle A. Emmitte1Jin Liu2Department of Microbiology and Immunology, The University of North Texas Health Science Center, Fort Worth, Texas, United StatesDepartment of Pharmaceutical Sciences, University of North Texas System College of Pharmacy, The University of North Texas Health Science Center, Fort Worth, Texas, United StatesDepartment of Pharmaceutical Sciences, University of North Texas System College of Pharmacy, The University of North Texas Health Science Center, Fort Worth, Texas, United Stateshttps://doi.org/10.1021/acsomega.5c02173 |
| spellingShingle | Ezek Mathew Kyle A. Emmitte Jin Liu I‑GAT: Interpretable Graph Attention Networks for Ligand Optimization ACS Omega |
| title | I‑GAT: Interpretable Graph Attention Networks for Ligand Optimization |
| title_full | I‑GAT: Interpretable Graph Attention Networks for Ligand Optimization |
| title_fullStr | I‑GAT: Interpretable Graph Attention Networks for Ligand Optimization |
| title_full_unstemmed | I‑GAT: Interpretable Graph Attention Networks for Ligand Optimization |
| title_short | I‑GAT: Interpretable Graph Attention Networks for Ligand Optimization |
| title_sort | i gat interpretable graph attention networks for ligand optimization |
| url | https://doi.org/10.1021/acsomega.5c02173 |
| work_keys_str_mv | AT ezekmathew igatinterpretablegraphattentionnetworksforligandoptimization AT kyleaemmitte igatinterpretablegraphattentionnetworksforligandoptimization AT jinliu igatinterpretablegraphattentionnetworksforligandoptimization |