Fingerprint | MACCS | Morgan | Ave | ||||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Stimu | Canna | S-psyche | D-opioids | D-benzo | Stimu | Canna | S-psyche | D-opioids | D-benzo | ||
 AUC |  |  |  |  |  |  |  |  |  |  |  |
 p5_maccs | 46.3% | 0.0% | 6.6% | − 1.0% | − 9.6% | 3.2% | − 2.1% | − 2.0% | − 2.0% | − 14.1% | 0.94 |
 p6_maccs | 44.8% | 0.0% | 4.4% | − 1.0% | − 1.1% | 2.1% | − 2.1% | − 4.0% | − 2.0% | − 6.1% | 0.95 |
 p7_maccs | 28.4% | 0.0% | 6.6% | − 1.0% | 1.1% | − 9.5% | − 2.1% | − 2.0% | − 2.0% | − 4.0% | 0.94 |
 p5_morgan | 17.9% | − 3.2% | 0.0% | − 6.1% | − 2.1% | − 16.8% | − 5.2% | − 8.1% | − 7.1% | − 7.1% | 0.89 |
 p6_morgan | 22.4% | 2.1% | 2.2% | − 4.1% | − 17.0% | − 13.7% | 0.0% | − 6.1% | − 5.1% | − 21.2% | 0.89 |
 p7_morgan | 1.5% | − 2.1% | − 1.1% | − 7.1% | − 55.3% | − 28.4% | − 4.1% | − 9.1% | − 8.1% | − 57.6% | 0.77 |
EF10 | Â | Â | Â | Â | Â | Â | Â | Â | Â | Â | Â |
 p5_maccs | 103.4% | 0.8% | 12.1% | − 3.2% | − 14.6% | 9.6% | − 10.9% | − 6.8% | − 13.9% | − 35.8% | 7.78 |
 p6_maccs | 96.1% | − 6.18% | 6.4% | − 0.6% | − 3.8% | 5.7% | − 17.1% | − 11.5% | − 11.7% | − 27.8% | 7.73 |
 p7_maccs | 46.8% | 0.7% | 5.8% | 0.7% | 14.6% | − 20.9% | − 11.0% | − 12.1% | − 10.5% | − 13.9% | 7.71 |
 p5_morgan | − 31.6% | − 60.3% | − 57.6% | − 57.0% | − 1.9% | − 63.1% | − 64.9% | − 64.7% | − 61.8% | − 26.3% | 3.99 |
 p6_morgan | 26.0% | 1.8% | − 3.8% | − 8.0% | − 21.3% | − 32.1% | − 10.0% | − 20.0% | − 18.3% | − 40.9% | 6.73 |
 p7_morgan | − 29.9% | − 45.5% | − 39.2% | − 44.7% | − 89.3% | − 62.2% | − 51.8% | − 49.4% | − 50.9% | − 91.9% | 3.39 |