2 compounds in matrix
2 best compound-target hits listed
2 targets
• Combined reverse-docking score = 65% normalized docking-score estimator + 35% interaction-fingerprint component.
• When a native ligand exists for an experiment, the interaction-fingerprint component is driven by similarity to the native contact/H-bond pattern.
• When no native ligand exists, the interaction-fingerprint component falls back to contact richness within the experiment (normalized contacts and H-bonds).
Compounds × targets matrix
Each cell shows the best combined reverse-docking score found for that compound on that target. Blank cells mean no imported pose passed the current filters.
Best compound-target hits
The score column is the combined reverse-docking score. The next two columns expose its components: normalized score-estimator and interaction fingerprint.
| Compound | Target | Experiment | Combined | Score part | IFP part | IFP mode | Metric | Dock score | Inter norm | Contacts | HB | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Z56842351 [H]N(c1cccc(C(F)(F)F)c1)[C@@H](c1ccncc1)c1ccc2cccnc2c1O |
T05 native IFP available |
T05 selection_import_t05 |
0.831 | 1.000 | 0.518 | native_similarity | final_rank_score | -30.0851 | -1.02009 | 14 | 4 | Pose |
| Z56842351 [H]Oc1c([C@@H](c2ccncc2)N([H])c2cccc(C(F)(F)F)c2)ccc2cccnc12 |
T19 native IFP available |
T19 selection_import_t19 |
0.726 | 1.000 | 0.216 | native_similarity | final_rank_score | -29.3955 | -1.07308 | 18 | 4 | Pose |