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. 2021 Mar 20;13:26. doi: 10.1186/s13321-021-00497-0

Table 6.

Among all the starting molecules in Test-Original, the percentage of starting molecules for which each model generates either less or more desirable molecules when compared with the other two models

Less than the others (%) More than the others (%)
HierG2G 46.50 10.02
Seq2Seq 23.16 21.81
Transformer 8.89 46.20