QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5327

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL5327 (TID: 20036), and it has 23 rows and 4 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.

本数据集包含来自ChEMBL数据库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编号：CHEMBL5327（靶点编号TID：20036）的活性值，其活性值单位为伪pCI50。该数据集共包含23条数据记录与4个特征（不含分子编号与类别特征：molecule_id与pXC50），这些特征为基于SMILES字符串生成的基础分子描述符（Basic Molecular Descriptors）。本数据集已采用中位数填充法完成缺失值处理，同时还进行了特征选择操作。