QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3344

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL3344 (TID: 20057), and it has 65 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本数据集包含源自ChEMBL 17版的定量构效关系（Quantitative Structure-Activity Relationship, QSAR）数据，呈现了多种化合物针对药物靶点ChEMBL_ID: CHEMBL3344（TID: 20057）的活性数值，其单位为伪pCI50。该数据集共包含65条记录与1024个特征（不含分子ID与类别特征：molecule_id及pXC50）。这些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FCFP 1024位分子指纹，通过达索系统BIOVIA（Dassault Systèmes BIOVIA）的Pipeline Pilot程序获取。生成指纹的操作未[原文内容截断]。