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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)
  1. Counts are given in brackets. The BALL column gives the accuracy results obtained when only checking if the bond orders obtained match the reference data