QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4725

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL4725 (TID: 20016), and it has 25 rows and 456 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). Feature selection was also applied.

本数据集包含来自ChEMBL第17版的定量构效关系（QSAR）数据，展示了多种化合物针对药物靶点ChEMBL_ID: CHEMBL4725（TID: 20016）的活性数值，其单位为伪pCI50。该数据集共包含25条样本与456个特征（不包含分子ID与类别特征：molecule_id及pXC50）。所述特征为基于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，同时已执行特征选择操作。