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 | T07 | T08 | T18 |
|---|---|---|---|---|---|---|---|
| Z26395492 | 0.829 | 0.805 | 4 | 0.80 | 0.83 | 0.83 | 0.76 |
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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Z26395492 | T07 native IFP available |
T07 selection_import_t07 |
0.829 | 1.000 | 0.512 | native_similarity | final_rank_score | -29.6005 | -1.71694 | 14 | 5 | Pose |
| Z26395492 | T08 native IFP available |
T08 selection_import_t08 |
0.829 | 1.000 | 0.512 | native_similarity | final_rank_score | -27.824 | -1.63593 | 14 | 5 | Pose |
| Z26395492 | T06 native IFP available |
T06 selection_import_t06 |
0.802 | 1.000 | 0.433 | native_similarity | final_rank_score | -19.1211 | -1.15033 | 17 | 2 | Pose |
| Z26395492 | T18 native IFP available |
T18 selection_import_t18 |
0.758 | 1.000 | 0.309 | native_similarity | final_rank_score | -17.3541 | -1.05606 | 13 | 4 | Pose |