1 compounds in matrix
4 best compound-target hits listed
4 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.
| Compound | Best | Mean | Targets | T03 | T09 | T10 | T12 |
|---|---|---|---|---|---|---|---|
| Z73436895 | 0.912 | 0.844 | 4 | 0.77 | 0.81 | 0.91 | 0.88 |
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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Z73436895 | T10 native IFP available |
T10 selection_import_t10 |
0.912 | 1.000 | 0.749 | native_similarity | final_rank_score | -20.2078 | -0.913366 | 14 | 14 | Pose |
| Z73436895 | T12 native IFP available |
T12 selection_import_t12 |
0.884 | 1.000 | 0.670 | native_similarity | final_rank_score | -27.0613 | -1.06854 | 14 | 7 | Pose |
| Z73436895 | T09 native IFP available |
T09 selection_import_t09 |
0.809 | 1.000 | 0.454 | native_similarity | final_rank_score | -22.461 | -0.948319 | 19 | 4 | Pose |
| Z73436895 | T03 native IFP available |
T03 selection_import_t03 |
0.771 | 1.000 | 0.345 | native_similarity | final_rank_score | -17.9475 | -0.987448 | 13 | 4 | Pose |