From: Robust optimization of SVM hyperparameters in the classification of bioactive compounds
Targets | Fingerprints | Optimization method | \({C \mathrm\;{\text{and}}\; \gamma \mathrm\;{\text{range}}}\) |
---|---|---|---|
No of iterations | |||
5-HT\(_\text {2A}\) | EstateFP | Bayes | \(\log _{10}(C) \in [-2, 5]\) |
5-HT\(_\text {2C}\) | ExtFP | Random | \({\log _{10}(\gamma ) \in [-10, 3]}\) |
5-HT\(_\text {6}\) | KlekFP | Grid search | 20, 30, 50, 75, 100, 150 |
5-HT\(_\text {7}\) | MACCSFP | Small grid | Â |
CDK2 | PubchemFP | SVMlight | Â |
M\(_\text {1}\) | SubFP | libSVM | Â |
ERK2 | Â | Â | Â |
AChE | Â | Â | Â |
A\(_\text {1}\) | Â | Â | Â |
alpha2AR | Â | Â | Â |
beta1AR | Â | Â | Â |
beta3AR | Â | Â | Â |
CB1 | Â | Â | Â |
DOR | Â | Â | Â |
D\(_\text {4}\) | Â | Â | Â |
H\(_\text {1}\) | Â | Â | Â |
H\(_\text {3}\) | Â | Â | Â |
HIVi | Â | Â | Â |
IR | Â | Â | Â |
ABL | Â | Â | Â |
HLE | Â | Â | Â |