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Functional group classification on FTIR Molecule Dataset 1600 molecules (random sample (A))

70.49AccuracyCNN
63.022864.961466.968.8386Mar 25, 2026

Evaluation results

MethodLinks
CNNIteration=42026.0370.49
CNNIteration=22026.0369.53
CNNIteration=12026.0368.85
CNNIteration=72026.0368.77
SVMIteration=102026.0368.5
CNNIteration=82026.0368.46
CNNIteration=Mean2026.0368.42
CNNIteration=52026.0368.14
CNNIteration=92026.0367.61
CNNIteration=32026.0367.32
CNNIteration=62026.0366.52
SVMIteration=82026.0365.22
SVMIteration=72026.0364.63
SVMIteration=12026.0364.51
SVMIteration=32026.0364.4
SVMIteration=Mean2026.0364.07
SVMIteration=52026.0363.87
SVMIteration=92026.0363.82
SVMIteration=62026.0363.78
CNNIteration=102026.0363.62
SVMIteration=42026.0363.56
SVMIteration=22026.0363.31