Resolving data bias improves generalization in binding affinity prediction.
Europe PMC REST API · 學術索引收錄 · 來源發佈：Tue Oct 21 2025 00:00:00 GMT+0000 (Coordinated Universal Time) · 本站收錄：Thu Oct 08 2026 09:08:05 GMT+0000 (Coordinated Universal Time)
已保存的原文節選
The field of computational drug design requires accurate scoring functions to predict binding affinities for protein-ligand interactions. However, train-test data leakage between the PDBbind database and the Comparative Assessment of Scoring Function benchmark datasets has severely inflated the performance metrics of currently available deep-learning-based binding affinity prediction models, leadi
以上為帶出處的原文節選，完整內容請閱讀原始鏈接。自動收錄與主題分類不等於事實核驗。