QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4017

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL4017 (TID: 12545), and it has 47 rows and 9 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent Basic Molecular Descriptors which were generated from SMILES strings. Missing value imputation was applied to this dataset (By choosing the Median). Feature selection was also applied.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: CHEMBL4017（靶点ID TID: 12545）的活性数值，活性单位为伪pCI50。该数据集共包含47条样本与9个特征，不含分子ID特征molecule_id与类别特征pXC50。所述特征为基于简化分子线性输入系统（Simplified Molecular Input Line Entry System，SMILES）字符串生成的基础分子描述符。本数据集已完成缺失值填充，填充策略为选取中位数补全，并同步执行了特征选择步骤。