石杉碱甲二聚体体外生物活性评价包括，检测石杉碱甲二聚体乙酰胆碱脂酶抑制（AChEIs）效率，如IC50，并通过体外构建人关节炎软骨细胞2D 培养模型，检测软骨细胞内及上清液中炎症因子（如TNF-ɑ, INOS, MMP-13, IL-6）水平及AChE mRNA表达及活性水平，明确石杉碱甲二聚体的抗炎作用；同时，还检测了不同烟碱受体（CHRNA4, CHRNA6, CHRNA7, CHRNB4,

国家人口健康科学数据中心40

QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1974

定量构效关系预测

药物活性筛选

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL1974 (TID: 12670), and it has 1902 rows and

OpenML2016-07-15 更新20

Biological activity of 5-(thiophen-2-yl)pyrimidine derivatives with diversification at the 4-position of the thiophene core.

药物活性筛选

构效关系

aSee footnote of Table 2.

NIAID Data Ecosystem50

QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3904

定量构效关系预测

药物活性筛选

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL3904 (TID: 11837), and it has 10 rows and 4

OpenML2016-07-15 更新40

Analysis of the antibacterial activity of the top 20 AMPs.

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