2 compounds in matrix
3 best compound-target hits listed
3 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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Z56857031 | T10 native IFP available |
T10 selection_import_t10 |
0.936 | 1.000 | 0.816 | native_similarity | final_rank_score | -25.2899 | -1.23224 | 16 | 9 | Pose |
| Z56857031 | T21 native IFP available |
T21 selection_import_t21 |
0.926 | 1.000 | 0.788 | native_similarity | final_rank_score | -26.0031 | -1.22176 | 14 | 13 | Pose |
| Z56857031 | T22 native IFP available |
T22 selection_import_t22 |
0.800 | 1.000 | 0.429 | native_similarity | final_rank_score | -35.0494 | -1.57771 | 17 | 11 | Pose |