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Table 4 Y-randomization test of the model descriptors

From: Computational modelling studies of some 1,3-thiazine derivatives as anti-influenza inhibitors targeting H1N1 neuraminidase via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions

Model type R R2 Q2(LOO) Model type R R2 Q2(LOO)
Original 0.9588 0.9193 0.8767 Original 0.9588 0.9193 0.8767
Random 1 0.6840 0.4678 0.0498 Random 26 0.2884 0.0832 − 0.4710
Random 2 0.4711 0.2220 − 0.4192 Random 27 0.7986 0.6378 0.2956
Random 3 0.2190 0.0480 − 0.6641 Random 28 0.2870 0.0824 − 0.4902
Random 4 0.5558 0.3089 − 0.2649 Random 29 0.4048 0.1639 − 0.4706
Random 5 0.2217 0.0492 − 0.7146 Random 30 0.5201 0.2705 − 0.1913
Random 6 0.4871 0.2373 − 0.4865 Random 31 0.4476 0.2003 − 0.3614
Random 7 0.4123 0.1700 − 0.5249 Random 32 0.6789 0.4608 0.0217
Random 8 0.4255 0.1811 − 0.5226 Random 33 0.5206 0.2710 − 0.3008
Random 9 0.3584 0.1285 − 0.7647 Random 34 0.4066 0.1653 − 0.3498
Random 10 0.3822 0.1461 − 0.3750 Random 35 0.2158 0.0466 − 0.5317
Random 11 0.5802 0.3366 − 0.2461 Random 36 0.3436 0.1180 − 0.4491
Random 12 0.6829 0.4664 0.1653 Random 37 0.5381 0.2895 − 0.1994
Random 13 0.3048 0.0929 − 0.5982 Random 38 0.1872 0.0351 − 0.7212
Random 14 0.4534 0.2056 − 0.4894 Random 39 0.3764 0.1417 − 0.4775
Random 15 0.5593 0.3128 − 0.2535 Random 40 0.4192 0.1757 − 0.4040
Random 16 0.2342 0.0549 − 0.6505 Random 41 0.4819 0.2322 − 0.4027
Random 17 0.4352 0.1894 − 0.5397 Random 42 0.3246 0.1054 − 0.4438
Random 18 0.3545 0.1256 − 0.4689 Random 43 0.4260 0.1815 − 0.4004
Random 19 0.2646 0.0700 − 0.6156 Random 44 0.5884 0.3462 − 0.0941
Random 20 0.1861 0.0346 − 0.5696 Random 45 0.3674 0.1350 − 0.4138
Random 21 0.4574 0.2092 − 0.4509 Random 46 0.3198 0.1023 − 0.4408
Random 22 0.2850 0.0812 − 0.5281 Random 47 0.3520 0.1239 − 0.4713
Random 23 0.3162 0.1000 − 0.4651 Random 48 0.3749 0.1405 − 0.4282
Random 24 0.5506 0.3031 − 0.2223 Random 49 0.3209 0.1030 − 0.6999
Random 25 0.3291 0.1083 − 0.5492 Random 50 0.4067 0.1654 − 0.6966
Random models parameters
   Average R 0.4228     
   Average R2 0.2029     
   Average Q2 − 0.3899     
   CRp2 0.8300