Table 7 Model parameters used in validating the model externally
Name | pIC50 | AATS6i | ATSC8i | GATS5s | VR1_Dze | C2SP3 | YPred |
|---|---|---|---|---|---|---|---|
1 | 5.8697 | 161.5169 | 48.7326 | 0.8808 | 292.3360 | 6 | 5.8575 |
20 | 5.8761 | 162.0662 | 40.5484 | 0.8599 | 336.7858 | 6 | 5.8355 |
25 | 5.7447 | 161.1486 | 43.7089 | 0.8297 | 443.9988 | 6 | 5.8080 |
26 | 5.7235 | 161.4648 | 47.3323 | 0.7449 | 293.8548 | 6 | 5.6361 |
4 | 5.8477 | 161.4031 | 48.9774 | 0.8945 | 288.8093 | 6 | 5.8647 |
41 | 5.7520 | 161.6404 | 55.2788 | 0.9363 | 360.7402 | 6 | 6.0801 |
42 | 5.9914 | 161.9008 | 47.3935 | 0.8602 | 358.8289 | 6 | 5.9095 |
43 | 5.9626 | 162.5176 | 82.5586 | 0.8348 | 356.6440 | 6 | 6.3221 |
48 | 5.6968 | 158.9117 | 24.3199 | 1.0608 | 405.1766 | 6 | 5.6558 |
5 | 5.8761 | 161.1950 | 49.3864 | 0.8916 | 288.7227 | 6 | 5.8413 |
52 | 5.5302 | 158.5990 | 38.7462 | 1.0551 | 405.2722 | 6 | 5.7680 |
53 | 5.6003 | 159.3748 | 13.5155 | 1.0230 | 410.7551 | 6 | 5.5391 |
57 | 5.6478 | 160.7295 | 22.3043 | 1.0283 | 421.4272 | 7 | 5.5005 |
58 | 5.1232 | 161.2564 | 29.4073 | 1.0188 | 398.3031 | 8 | 5.3008 |
6 | 5.7471 | 161.839 | 42.3780 | 0.8672 | 288.5304 | 6 | 5.8016 |
60 | 5.4498 | 163.1298 | 37.0344 | 0.8237 | 307.2417 | 7 | 5.5363 |
16 | 5.8794 | 162.1464 | 52.3900 | 0.6452 | 289.6975 | 6 | 5.6169 |
8 | 6.4685 | 161.2731 | 51.2615 | 0.8828 | 536.4764 | 6 | 6.0575 |