QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL320

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL320 (TID: 12566), and it has 298 rows and 43 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).

本数据集包含源自ChEMBL数据库版本17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: CHEMBL320（靶点编号：TID: 12566）的活性值，活性单位为伪pCI50。该数据集共计298条数据行，包含43项特征（不含分子ID与类别特征：molecule_id及pXC50）。此处特征均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。本数据集已通过中位数法完成缺失值插补处理。