QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2323

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL2323 (TID: 12162), and it has 111 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 us

本数据集包含来自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: CHEMBL2323（TID: 12162）的活性值，活性值单位为伪pCI50。该数据集共包含111条样本与1024个特征（不包含分子ID与类别特征：molecule_id及pXC50）。此处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（FCFP 1024-bit Molecular Fingerprints），该指纹通过达索系统BIOVIA的Pipeline Pilot程序生成。指纹生成过程未使用（原文后续内容存在截断缺失）。