Table 1 Comparison of query results of different search platforms
From: BioisoIdentifier: an online free tool to investigate local structural replacements from PDB
Target functional group | The number of bioisosteres found by different search tools | |||||
|---|---|---|---|---|---|---|
SwissBioisostere | MolOpt-1 | MolOpt-2 | MolOpt-3 | MolOpt-4 | BII | |
3-substituent | 161 | 100 | 200 | 121 | 200 | 496 |
4-substituent | 631 | 100 | 200 | 200 | 200 | 2559 |
3,4-substituent | 56 | 9 | 200 | 9 | 200 | 3322 |