Data for: 2D-SAR, Topomer CoMFA and molecular docking studies on avian influenza neuraminidase inhibitors

Supplementary material 1. The name and molecular descriptor of inhibitors and non-inhibitors in the training and test set Supplementary material 2. The value of experimental pIC50 and predicted pIC50 for all the training set and independent test set molecules Supplementary material 3.The Total Score (TS) and C Score (CS) of the NAIs Supplementary material 4. The name and 2D-SAR results of designed compounds Supplementary material 5. The CoMFA Contour map of Compound M13

补充材料1：训练集与测试集内抑制剂与非抑制剂的名称及分子描述符
补充材料2：全部训练集与独立测试集分子的实验pIC50及预测pIC50数值
补充材料3：NAIs的总得分（TS）与C得分（CS）
补充材料4：设计化合物的名称及二维构效关系（2D-SAR）结果
补充材料5：化合物M13的比较分子场分析（CoMFA）等值线图