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NIAID Data Ecosystem40

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药物靶点预测

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NIAID Data Ecosystem20

Molecular Dynamics Simulations Reveal Fundamental Role of Water As Factor Determining Affinity of Binding of β-Blocker Nebivolol to β 2 -Adrenergic Receptor

药物靶点预测

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The β-adrenergic antagonists (β-blockers) constitute a class of drugs that have well-established roles in treatments of various cardiovascular diseases. Despite a 50 year history, there are two clinic

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QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3840

定量构效关系建模

药物靶点预测

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL3840 (TID: 10464), and it has 61 rows and 1

OpenML2016-07-15 更新20

model_iRV973_Cauris2023

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