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. 2022 Sep 2;14:60. doi: 10.1186/s13321-022-00638-z

Table 2.

Distribution of alkene reactants in the training set and generated set

Carbon–carbon double bond classification of reactant Amount Ratio (%)
Training Generated Training Generated
Ethylene 141 9 1.57 0.40
Monosubstituted 8300 2179 92.60 96.72
Disubstituted 502 64 5.60 2.84
Trisubstituted 20 1 0.23 0.04
Total 8963 2253 100 100