遇见数据集

Asclepion

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Zenodo2026-03-06 更新2026-05-29 收录
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Molecule 2: The "Cognitive Supercharger" (Alzheimer’s Focus)SMILES: FC1=CC=C(CC#CC23CCC(CC2)CC3)C(F)=C1NC(=O)OCC1=CC=NC=C1This structure targets the \bm{\alpha7} nAChR. It features the bicyclo[2.2.2]octane cage (C23CCC(CC2)CC3) and the critical pyridyl-carbamate link (NC(=O)OCC1=CC=NC=C1) designed to avoid metabolic staining. Molecule 1: The "Electrical Anchor" (Epilepsy Focus)SMILES: OCC(O)CN1C2=CC=C(F)C=C2C(=N1)NC(=O)C34CC(C#N)C3C4This molecule targets the \bm{Kv7} (KCNQ) potassium channel. It uses a unique bicyclic "cage" (the C34CC(C#N)C3C4 fragment) to lock into the channel's pore.

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2026-03-06
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