QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL4247

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL4247 (TID: 100417), and it has 1239 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

本数据集包含源自ChEMBL第17版的定量结构-活性关系（Quantitative Structure-Activity Relationship, QSAR）数据，展示了多种化合物针对药物靶点ChEMBL_ID: CHEMBL4247（TID: 100417）的活性值，活性值单位为伪pCI50（pseudo-pCI50）。该数据集共包含1239行数据，以及1024项特征（不含分子ID与类别特征：molecule_id及pXC50）。上述特征为由简化分子线性输入规范（Simplified Molecular Input Line Entry System, SMILES）字符串生成的1024位FCFP分子指纹，通过达索系统BIOVIA（Dassault Systèmes BIOVIA）的Pipeline Pilot程序生成。生成的指纹未