Original data set for "Flexible Scaffold-based Cheminformatics Approach for Polypharmacological Drug Design"

This is an original data set for the paper titled "Flexible Scaffold-based Cheminformatics Approach for Polypharmacological Drug Design". This data set provides the source data about the in vitro pharmacological characterizations of the compounds, in vivo animal test results, and the docking calculations and measurements illustrated in those figures of the paper. This is one excel file.本数据集为论文《基于柔性骨架的多药理药物设计化学信息学方法》（"Flexible Scaffold-based Cheminformatics Approach for Polypharmacological Drug Design"）的原始数据集。本数据集提供了该论文中涉及的化合物体外（in vitro）药理学表征、体内（in vivo）动物实验结果，以及论文各图示中展示的分子对接计算（docking calculations）与测量相关的源数据。本数据集为单个Excel文件。