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Data size for preprocessing.
| Ligand | Atoms | Number of valid results | Coordinates |
|---|---|---|---|
| NADH | 52 | 11,284 | 586,768 |
| PIF | 24 | 30,420 | 730,080 |
| TCL | 18 | 28,370 | 510,660 |
| ETH | 13 | 30,430 | 395,590 |
| Total | 100,504 | 2,223,098 | |
The first column shows the ligand names. The second, the total number of atoms of each ligand. The third, the total number of valid docking results, and the last column shows the total number of the ligands’s atomic coordinates stored in the FReDD [36] repository.
