Table 4 Hyperparameters of trained quantitative pharmacophore model on datasets from Debnath et al.
From: QPHAR: quantitative pharmacophore activity relationship: method and validation
Parameter | Value |
|---|---|
Fuzzy | True |
Modeltype | RandomForest |
Threshold | 1 |
Weighttype | distance |
maxDepth (of ML-Model) | 3 |
nEstimators (of ML-Model) | 10 |