Table 1 ReactionCode validation (tested with version 1.2.0)
Test number | Similar reactions | Non-identical reactions |
|---|---|---|
1 | 478,948 (99.98%) | 87 (0.02%) |
2 | 466,634 (97.41%) | 12,425 (2.59%) |
3105 (0.65%) structures could not be kekulized | ||
9320 (1.94%) structures that are tautomers | ||
3 | 478,948 (99.61%) | 87 (0.39%) |