QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5314

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL5314 (TID: 100912), and it has 948 rows and 1381 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).本数据集包含来自ChEMBL第17版的定量构效关系（Quantitative Structure-Activity Relationship）数据，记录了多种化合物针对药物靶点ChEMBL_ID: CHEMBL5314（靶点ID：TID: 100912）的活性值，活性单位为伪pCI50。该数据集共包含948条样本与1381个特征，不包含分子ID特征molecule_id与类别特征pXC50。所有特征均为基于简化分子线性输入字符串（SMILES）生成的分子描述符（Molecular Descriptors）。本数据集已采用中位数法完成缺失值填充。