GraphEGFR Multi-task and transfer learning based on molecular graph attention mechanism and fingerprints improving inhibitor bioactivity prediction for EGFR family proteins on data scarcity

GraphEGFR : Multi-task and transfer learning based on molecular graph attention mechanism and fingerprints improving inhibitor bioactivity prediction for EGFR family proteins on data scarcity

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 45(2024), 23 vom: 05. Aug., Seite 2001-2023
1. Verfasser: Boonyarit, Bundit (VerfasserIn)
Weitere Verfasser: Yamprasert, Nattawin, Kaewnuratchadasorn, Pawit, Kinchagawat, Jiramet, Prommin, Chanatkran, Rungrotmongkol, Thanyada, Nutanong, Sarana
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2024
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article drug discovery epidermal growth factor receptor graph attention mechanism multi‐task learning transfer learning ErbB Receptors EC 2.7.10.1 Protein Kinase Inhibitors EGFR protein, human
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