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包含了3558条抗菌肽氨基酸序列
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创建时间:
2022-05-26
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scikit-fingerprints/MoleculeACE_chembl287_ki
MoleculeACE ChEMBL287 Ki数据集,源自ChEMBL数据库,经过MoleculeACE处理用于评估活性悬崖。该数据集的目标是预测分子对Sigma非阿片类细胞内受体的抑制常数(Ki)。数据集包含1328个样本,适用于回归任务,推荐使用activity_cliff方式进行数据拆分,并以均方根误差(RMSE)作为评估指标。
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nfsrulesFR/mega-moledit-large
--- license: gpl-3.0 task_categories: - text-generation language: - en tags: - chemistry - molecular-editing - drug-discovery - smiles - molecule-generation pretty_name: MEGA Molecular Editing Dataset
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GPCR complexes utilized in re-docking and cross-docking setup.
*RET = Retinal, P32 = Cyanopindolol, CAU = Carazolol, Y00 = Dobutamine, WHJ = Carmoterol, 5FW = Isoprenaline, 68H = Salbutamol, *TIM = Timolol, JRZ = ICI 118,551GPCR complexes utilized in re-docking a
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BindingDB Entry 10506: P300/CBP HAT inhibitors
Small molecule binding data for protein Histone acetyltransferase p300, Uniprot Q09472
Mendeley Data2024-03-27 更新80
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-2,3-dihydro-1H-isoindol-1-on
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