Skip to main content

Table 1 Details of the classification experiments performed

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  
CDK2 PubchemFP SVMlight  
M\(_\text {1}\) SubFP libSVM  
ERK2    
AChE    
A\(_\text {1}\)    
alpha2AR    
beta1AR    
beta3AR    
CB1    
DOR    
D\(_\text {4}\)    
H\(_\text {1}\)    
H\(_\text {3}\)    
HIVi    
IR    
ABL    
HLE