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Functional group classification on FTIR Molecule Dataset C Full 4730 molecules (entire dataset)

94.3AccuracyCNN
66.136873.448480.7688.0716Mar 25, 2026

Evaluation results

MethodLinks
CNNK=32026.0394.3
SVMK=32026.0389.2
CNNK=22026.0388.2
SVMK=22026.0380.1
CNNIteration=42026.0379.84
CNNIteration=12026.0379.7
CNNIteration=62026.0379.28
CNNIteration=102026.0378.93
SVMIteration=52026.0378.8
CNNIteration=Mean2026.0378.43
CNNK=12026.0378.43
CNNIteration=82026.0378.31
CNNIteration=92026.0377.8
CNNIteration=22026.0377.77
CNNIteration=72026.0377.12
CNNIteration=32026.0376.89
SVMIteration=42026.0370.63
SVMIteration=102026.0369.51
SVMIteration=72026.0369.2
SVMIteration=12026.0369.12
SVMIteration=82026.0368.83
SVMIteration=Mean2026.0368.79
CNNIteration=52026.0368.68
SVMIteration=22026.0368.55
SVMK=12026.0368.42
SVMIteration=32026.0368.3
SVMIteration=62026.0367.92
SVMIteration=92026.0367.22