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Table 1 Percentage of optimised electron assignment scores for which the corresponding formal charge and bond order state matches the reference state
From: Automated simultaneous assignment of bond orders and formal charges
| Database | FPT algorithm | BALL |
|---|---|---|
| MMFF94 (691) | 93.49% (646) | 84.80% (586) |
| KEGG (5676) | 98.13% (5570) | 93.59% (5312) |
| Overall (6367) | 97.63% (6216) | 92.63% (5898) |
