QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2276

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL2276 (TID: 12261), and it has 1842 rows and 17 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数据库第17版的定量结构-活性关系（Quantitative Structure-Activity Relationship, QSAR）数据，记录了多种化合物针对药物靶点ChEMBL_ID: CHEMBL2276（TID: 12261）的活性值，活性值单位为伪pCI50（pseudo-pCI50）。该数据集共包含1842条数据行与17项特征（不含分子ID与类别特征：molecule_id及pXC50）。上述特征为基于简化分子线性输入规范（Simplified Molecular Input Line Entry System, SMILES）字符串生成的基础分子描述符。本数据集已采用中位数法完成缺失值插补，并进行了特征选择处理。