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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

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