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Validation of predicted compounds.
| PDB | ChEMBL | Both | |
|---|---|---|---|
| Top 100 | 2 (2%) | 15 (15%) | 17 (17%) |
| All 692 | 4 (0.5%) | 100 (14%) | 99 (15%) |
The top predictions are highly enriched in independently validated Mpro binders. Validation is done by evaluating with identical compounds that show inhibitory activity in ChEMBL or found in complex with Mpro in the PDB. Given values for PDB and ChEMBL validation do not consider any overlap.
