1 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.
| Compound | Best | Mean | Targets | T07 | T15 | T19 |
|---|---|---|---|---|---|---|
| OHD_Babesia_13 | 0.829 | 0.793 | 3 | 0.83 | 0.79 | 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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OHD_Babesia_13 | T07 native IFP available |
T07 selection_import_t07 |
0.829 | 1.000 | 0.511 | native_similarity | final_rank_score | -22.1669 | -1.08228 | 17 | 7 | Pose |
| OHD_Babesia_13 | T15 native IFP available |
T15 selection_import_t15 |
0.786 | 1.000 | 0.388 | native_similarity | final_rank_score | -14.0997 | -0.784003 | 16 | 3 | Pose |
| OHD_Babesia_13 | T19 native IFP available |
T19 selection_import_t19 |
0.764 | 1.000 | 0.325 | native_similarity | final_rank_score | -30.8011 | -1.15568 | 20 | 7 | Pose |