File S1 - QSAR and Docking Studies on Capsazepine Derivatives for Immunomodulatory and Anti-Inflammatory Activity

Contains Table S1, Structure, experimental IC50 (µM), predicted IC50 (µM) and residual of training set compounds. Table S2, Structure, experimental IC50 and predicted IC50 of test set compounds. Table S3, Details of derived QSAR model equation based on multiple linear regression. (DOC)

本数据集包含训练集化合物的补充表S1，其内容涵盖化合物结构、实验测得的半数抑制浓度（IC50，单位：µM）、预测得到的半数抑制浓度（IC50，单位：µM）以及残差值；补充表S2收录了测试集化合物的结构、实验IC50与预测IC50；补充表S3详细呈现了基于多元线性回归构建的定量构效关系（QSAR, Quantitative Structure-Activity Relationship）模型方程的相关细节。本数据集文件格式为DOC。