2 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.
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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Z32440330 | T12 native IFP available |
T12 selection_import_t12 |
0.919 | 1.000 | 0.770 | native_similarity | final_rank_score | -22.8932 | -0.843316 | 20 | 8 | Pose |
| Z32440330 | T01 native IFP available |
T01 selection_import_t01 |
0.834 | 1.000 | 0.524 | native_similarity | final_rank_score | -25.0298 | -0.730133 | 18 | 2 | Pose |
| Z32440330 | T03 native IFP available |
T03 selection_import_t03 |
0.771 | 1.000 | 0.345 | native_similarity | final_rank_score | -26.7164 | -0.933124 | 13 | 6 | Pose |
| Z32440330 | T15 native IFP available |
T15 selection_import_t15 |
0.763 | 1.000 | 0.324 | native_similarity | final_rank_score | -24.2711 | -0.716019 | 18 | 3 | Pose |