Table 5 Predicted descriptors score values for external test set compounds (model 1)
Test set | AATS1i | ATSC4c | ATSC3v | MATS5p | GATS6c |
|---|---|---|---|---|---|
22 | 146.2335 | − 0.24714 | 508.3810 | − 0.11640 | 1.283596 |
24 | 146.2623 | − 0.12293 | 302.5973 | − 0.09294 | 1.426912 |
25 | 147.1679 | − 0.19151 | 140.3329 | − 0.15875 | 1.305459 |
35 | 148.1172 | − 0.36160 | 396.3149 | − 0.12156 | 1.016583 |
29 | 147.1962 | − 0.21965 | 418.3325 | − 0.1166 | 1.182565 |
3 | 147.2940 | − 0.20363 | − 93.0553 | − 0.09084 | 0.930660 |
30 | 148.2413 | − 0.24606 | 486.5724 | − 0.18462 | 1.129426 |
31 | 146.5099 | − 0.09636 | 608.9053 | − 0.12294 | 1.425727 |
32 | 148.0084 | − 0.28975 | 324.8536 | − 0.11810 | 1.091907 |