QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL5701

This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL5701 (TID: 101506), and it has 79 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版的定量构效关系（Quantitative Structure-Activity Relationship，QSAR）数据，记录了多个化合物针对药物靶点ChEMBL_ID: CHEMBL5701（靶点ID：101506）的活性数值，单位为伪pCI50。该数据集共包含79条样本与1024个特征（不含分子ID与类别特征：molecule_id与pXC50）。这些特征为基于简化分子线性输入规范（Simplified Molecular-Input Line-Entry System，SMILES）字符串生成的功能类指纹（Functional Class Fingerprints，FCFP）1024位分子指纹，由达索系统BIOVIA的Pipeline Pilot程序生成。指纹生成过程未使用（原文此处内容存在截断）