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 | T11 | T19 | T20 |
|---|---|---|---|---|---|---|---|
| Z56262874 | 0.953 | 0.832 | 4 | 0.80 | 0.83 | 0.75 | 0.95 |
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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Z56262874 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -18.1016 | -0.593741 | 12 | 5 | Pose |
| Z56262874 | T11 native IFP available |
T11 selection_import_t11 |
0.833 | 1.000 | 0.522 | native_similarity | final_rank_score | -21.3289 | -0.73506 | 21 | 2 | Pose |
| Z56262874 | T03 native IFP available |
T03 selection_import_t03 |
0.796 | 1.000 | 0.416 | native_similarity | final_rank_score | -23.8344 | -0.806697 | 14 | 3 | Pose |
| Z56262874 | T19 native IFP available |
T19 selection_import_t19 |
0.747 | 1.000 | 0.276 | native_similarity | final_rank_score | -24.074 | -0.94533 | 20 | 5 | Pose |