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

Table 4.

Distribution of Heck reactions in the training set and generated set

Classification of reaction type Amount Ratio (%)
Training Generated Training Generated
Intermolecular reaction 8464 2213 94.4 98.2
Intramolecular reaction 499 40 5.6 1.8
Total 8963 2253 100 100