QSAR and molecular docking studies of novel 2,5-distributed-1,3,4-thiadiazole derivatives containing 5-phenyl-2-furan as fungicides against Phythophthora infestans

Beni-Suef University Journal of Basic and Applied Sciences

Table 5 Calculations of predicted R²

(Y_pred − Y_obs)	(Y_pred − Y_obs)²	Y_meanTrain	Y_obs − Y_meanTr	(Y_pred – Y_meanTrain)²
0.109252	0.011936	1.692889	0.147217	0.021673
0.002532	6.41E-06	1.692889	− 0.03775	0.001425
0.115762	0.013401	1.692889	0.358263	0.128353
0.388686	0.151077	1.692889	− 1.08011	1.166627
−0.13771	0.018965	1.692889	− 0.76861	0.590761
−0.17736	0.031456	1.692889	0.081628	0.006663
−0.42507	0.180686	1.692889	0.131237	0.017223
−0.3733	0.139353	1.692889	0.052966	0.002805
0.15446	0.023858	1.692889	−0.43521	0.189408
−0.47873	0.229185	1.692889	0.050621	0.002562