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. Author manuscript; available in PMC: 2023 Feb 19.
Published in final edited form as: J Comput Aided Mol Des. 2022 Aug 19;36(8):563–574. doi: 10.1007/s10822-022-00472-3

Table 5.

Top Ranking Accuracy for Covalent and Non-covalent Docking in Rigid CDOCKER

Reaction Type Non-covalent docking Covalent docking
Addition to aldehyde 18.06% 58.33%
Disulfide bond formation 40.00% 53.33%
Addition to ketone 8.33% 55.56%
Michael addition 23.05% 53.90%
Addition to nitrile 51.06% 66.67%
Nucleophilic substitution 23.53% 56.86%
Ring opening 20.83% 45.83%