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. 2020 Jul 22;11(31):8312–8322. doi: 10.1039/d0sc03126g

Performance comparison of models on the CASF-2016 validation set.

Metrics Models
DeLinker (%) SyntaLinker (%) SyntaLinker_multi (%) SyntaLinker_n (%)
Validity 95.5 96.4 96.5 86.8
Uniqueness 51.9 69.9 63.8 65.6
Recovery 53.7 62.7 60.2 55.4
Novelty 51.0 75.4 77.2 71.3