2 compounds in matrix
11 best compound-target hits listed
11 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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Z24314037 | T12 native IFP available |
T12 selection_import_t12 |
0.922 | 1.000 | 0.777 | native_similarity | final_rank_score | -30.8704 | -1.09275 | 18 | 12 | Pose |
| Z24314037 | T05 native IFP available |
T05 selection_import_t05 |
0.855 | 1.000 | 0.586 | native_similarity | final_rank_score | -31.9693 | -1.04503 | 13 | 7 | Pose |
| Z24314037 | T03 native IFP available |
T03 selection_import_t03 |
0.850 | 1.000 | 0.571 | native_similarity | final_rank_score | -23.148 | -1.01988 | 16 | 6 | Pose |
| Z24314037 | T11 native IFP available |
T11 selection_import_t11 |
0.844 | 1.000 | 0.555 | native_similarity | final_rank_score | -22.1631 | -0.832557 | 14 | 7 | Pose |
| Z24314037 | T06 native IFP available |
T06 selection_import_t06 |
0.843 | 1.000 | 0.551 | native_similarity | final_rank_score | -21.2069 | -0.829155 | 20 | 2 | Pose |
| Z24314037 | T02 native IFP available |
T02 selection_import_t02 |
0.838 | 1.000 | 0.539 | native_similarity | final_rank_score | -26.3858 | -0.821749 | 19 | 2 | Pose |
| Z24314037 | T18 native IFP available |
T18 selection_import_t18 |
0.809 | 1.000 | 0.453 | native_similarity | final_rank_score | -22.4599 | -0.70632 | 15 | 3 | Pose |
| Z24314037 | T14 native IFP available |
T14 selection_import_t14 |
0.807 | 1.000 | 0.450 | native_similarity | final_rank_score | -22.8777 | -0.711854 | 18 | 4 | Pose |
| Z24314037 | T01 native IFP available |
T01 selection_import_t01 |
0.780 | 1.000 | 0.371 | native_similarity | final_rank_score | -23.6939 | -0.830868 | 15 | 6 | Pose |
| Z24314037 | T17 native IFP available |
T17 selection_import_t17 |
0.773 | 1.000 | 0.352 | native_similarity | final_rank_score | -20.6957 | -0.784492 | 17 | 6 | Pose |
| Z24314037 | T09 native IFP available |
T09 selection_import_t09 |
0.754 | 1.000 | 0.297 | native_similarity | final_rank_score | -23.0816 | -0.816146 | 15 | 5 | Pose |