QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3769

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL3769 (TID: 10443), and it has 769 rows and 1377 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent Molecular Descriptors which were generated from SMILES strings. Missing value imputation was applied to this dataset (By choosing the Median).

本数据集包含源自ChEMBL第17版的定量构效关系（Quantitative Structure-Activity Relationship，QSAR）数据，记录了多种化合物针对药物靶点ChEMBL_ID: CHEMBL3769（靶点ID（TID）: 10443）的活性数值，活性值单位为伪pCI50（pseudo-pCI50）。该数据集共包含769条记录与1377个特征（不包含分子ID与类别特征：molecule_id和pXC50）。所有特征均为基于SMILES字符串生成的分子描述符。本数据集已采用中位数法完成缺失值填充。