QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2246

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL2246 (TID: 11308), and it has 62 rows and 185 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.

本数据集包含源自ChEMBL第17版的定量构效关系（Quantitative Structure-Activity Relationship, QSAR）数据，展示了多种化合物针对药物靶点ChEMBL_ID: CHEMBL2246（TID: 11308）的活性值，活性值单位为伪pCI50。该数据集共包含62条样本与185个特征（不包含分子ID与类别特征：molecule_id和pXC50）。本次所采用的特征均为基于SMILES字符串生成的分子描述符（Molecular Descriptors）。本数据集已通过中位数填充法完成缺失值插补，同时执行了特征选择操作。