MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery.
Europe PMC REST API · 學術索引收錄 · 來源發佈：Fri May 10 2024 00:00:00 GMT+0000 (Coordinated Universal Time) · 本站收錄：Thu Oct 08 2026 09:08:13 GMT+0000 (Coordinated Universal Time)
已保存的原文節選
Large language models have greatly enhanced our ability to understand biology and chemistry, yet robust methods for structure-based drug discovery, quantum chemistry and structural biology are still sparse. Precise biomolecule-ligand interaction datasets are urgently needed for large language models. To address this, we present MISATO, a dataset that combines quantum mechanical properties of small
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。