QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3795

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL3795 (TID: 11869), and it has 705 rows and 68 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数据库第17版的定量构效关系（Quantitative Structure-Activity Relationship, QSAR）数据，记录了多种化合物针对药物靶点ChEMBL_ID: CHEMBL3795（靶点编号TID: 11869）的活性值，活性值单位为伪pCI50。该数据集共计705条样本，包含68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，本数据集已完成缺失值插补（采用中位数插补法），同时已执行特征选择操作。