2 compounds in matrix
5 best compound-target hits listed
5 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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Z56778174 | T11 native IFP available |
T11 selection_import_t11 |
0.899 | 1.000 | 0.713 | native_similarity | final_rank_score | -23.4995 | -1.09088 | 13 | 7 | Pose |
| Z56778174 | T14 native IFP available |
T14 selection_import_t14 |
0.812 | 1.000 | 0.464 | native_similarity | final_rank_score | -20.5828 | -0.918378 | 16 | 4 | Pose |
| Z56778174 | T02 native IFP available |
T02 selection_import_t02 |
0.798 | 1.000 | 0.422 | native_similarity | final_rank_score | -26.2319 | -1.07352 | 14 | 3 | Pose |
| Z56778174 | T06 native IFP available |
T06 selection_import_t06 |
0.791 | 1.000 | 0.402 | native_similarity | final_rank_score | -21.8288 | -0.953333 | 16 | 2 | Pose |
| Z56778174 | T03 native IFP available |
T03 selection_import_t03 |
0.750 | 1.000 | 0.287 | native_similarity | final_rank_score | -30.5313 | -1.10224 | 10 | 8 | Pose |