QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2266

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL2266 (TID: 11633), and it has 20 rows and 1024 features (not including molecule IDs and class feature: molecule_id and pXC50). The features represent FCFP 1024-bit Molecular Fingerprints which were generated from SMILES strings. They were obtained using the Pipeline Pilot program, Dassault Systèmes BIOVIA. Generating Fingerprints do not usu

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CHEMBL2266（靶点编号TID: 11633）的活性值，活性值单位为伪pCI50（pseudo-pCI50）。该数据集共包含20条样本与1024个特征（不包含分子ID字段molecule_id与pXC50类别特征）。此处的特征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FCFP 1024位分子指纹，该指纹通过达索系统BIOVIA的Pipeline Pilot程序获取。指纹生成操作未