Table 2. Cross-validation accuracy performance over different EC levels.
Totalreactions,precision | EC1reactions,precision | EC2reactions,precision | EC3reactions,precision | EC4reactions,precision | EC5reactions,precision | EC6reactions,precision |
5120 0.831 | 2112 0.828 | 1398 0.880 | 735 0.861 | 532 0.748 | 190 0.657 | 153 0.784 |
With a selected fingerprint length at 3, the number of reactions and the cross-validation accuracies will vary from EC1 to EC6.