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

Table 2.

Transformation statistics on the training set

Percentage of unique transformations 59.4%
Percentage of transformations that occur only once 51.9%
Percentage of the most frequently occurring transformation 1.2%
Percentage of the top 20 most frequently occurring transformations 8.2%