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. 2021 Mar 9;13:21. doi: 10.1186/s13321-021-00498-z

Table 5.

Evaluation of molecular diversity throughout the training process applying three distance measure

Training step 0 150 300 450
Tanimoto distance 0.901 0.877 0.857 0.824
Levenshtein distance 31.2 26.8 24.3 22.1
MCS distance 0.799 0.767 0.724 0.713