1 compounds in matrix
6 best compound-target hits listed
6 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 | T02 | T08 | T09 | T12 | T15 | T20 |
|---|---|---|---|---|---|---|---|---|---|
| Z56908735 | 0.929 | 0.856 | 6 | 0.86 | 0.85 | 0.85 | 0.85 | 0.80 | 0.93 |
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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Z56908735 | T20 native IFP available |
T20 selection_import_t20 |
0.929 | 1.000 | 0.796 | native_similarity | final_rank_score | -19.6109 | -0.712886 | 11 | 5 | Pose |
| Z56908735 | T02 native IFP available |
T02 selection_import_t02 |
0.859 | 1.000 | 0.599 | native_similarity | final_rank_score | -25.8847 | -0.854274 | 19 | 1 | Pose |
| Z56908735 | T12 native IFP available |
T12 selection_import_t12 |
0.852 | 1.000 | 0.577 | native_similarity | final_rank_score | -30.7641 | -0.977077 | 16 | 4 | Pose |
| Z56908735 | T09 native IFP available |
T09 selection_import_t09 |
0.849 | 1.000 | 0.569 | native_similarity | final_rank_score | -23.9237 | -0.853781 | 17 | 1 | Pose |
| Z56908735 | T08 native IFP available |
T08 selection_import_t08 |
0.847 | 1.000 | 0.562 | native_similarity | final_rank_score | -32.7288 | -1.0988 | 16 | 4 | Pose |
| Z56908735 | T15 native IFP available |
T15 selection_import_t15 |
0.801 | 1.000 | 0.431 | native_similarity | final_rank_score | -22.6201 | -0.799523 | 17 | 2 | Pose |