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. 2020 Mar 18;12:17. doi: 10.1186/s13321-020-00423-w

Table 2.

Validation of canonicalization model

Strings All Correctly canonicalized
All 500,000 418,233 (83.6%)
Stereo (with @) 77,472 28,821 (37.2%)
Cis/trans (with / or \) 54,727 40,483 (73.9%)