Table 7 Mean training and prediction times by feature type
From: Machine learning and drug discovery for neglected tropical diseases
Feature type | Training time (s) | Prediction time (s) |
|---|---|---|
256FP | 126.0 | 9.1 |
1024FP | 440.0 | 15.2 |
MACCS | 79.6 | 8.9 |
RdKit | 185.3 | 8.9 |
MACCS/RDKit | 188.4 | 8.3 |
1024/RDKit | 469.0 | 15.6 |
1025/MACCS/RDKit | 704.3 | 18.7 |