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 | T03 | T16 | T19 | T20 |
|---|---|---|---|---|---|---|---|
| Z27434678 | 0.940 | 0.810 | 4 | 0.87 | 0.72 | 0.72 | 0.94 |
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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Z27434678 | T20 native IFP available |
T20 selection_import_t20 |
0.940 | 1.000 | 0.829 | native_similarity | final_rank_score | -20.6299 | -0.590614 | 14 | 5 | Pose |
| Z27434678 | T03 native IFP available |
T03 selection_import_t03 |
0.866 | 1.000 | 0.618 | native_similarity | final_rank_score | -26.2638 | -0.912385 | 17 | 6 | Pose |
| Z27434678 | T16 native IFP available |
T16 selection_import_t16 |
0.718 | 1.000 | 0.194 | native_similarity | final_rank_score | -24.8764 | -0.707293 | 9 | 5 | Pose |
| Z27434678 | T19 native IFP available |
T19 selection_import_t19 |
0.716 | 1.000 | 0.188 | native_similarity | final_rank_score | -28.7199 | -1.01351 | 23 | 6 | Pose |