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 | T06 | T09 | T11 | T14 |
|---|---|---|---|---|---|---|---|
| Z56798659 | 0.865 | 0.816 | 4 | 0.82 | 0.79 | 0.87 | 0.80 |
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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Z56798659 | T11 native IFP available |
T11 selection_import_t11 |
0.865 | 1.000 | 0.615 | native_similarity | final_rank_score | -14.6546 | -0.747186 | 17 | 2 | Pose |
| Z56798659 | T06 native IFP available |
T06 selection_import_t06 |
0.816 | 1.000 | 0.475 | native_similarity | final_rank_score | -24.4973 | -0.746062 | 17 | 1 | Pose |
| Z56798659 | T14 native IFP available |
T14 selection_import_t14 |
0.795 | 1.000 | 0.416 | native_similarity | final_rank_score | -18.6171 | -0.727182 | 10 | 4 | Pose |
| Z56798659 | T09 native IFP available |
T09 selection_import_t09 |
0.788 | 1.000 | 0.394 | native_similarity | final_rank_score | -20.3594 | -0.787303 | 17 | 2 | Pose |