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Functional group classification on FTIR Molecule Dataset 3200 molecules (random sample (B))

75.09AccuracySVM
65.563668.036870.5172.9832Mar 25, 2026

Evaluation results

MethodLinks
SVMIteration=82026.0375.09
CNNIteration=12026.0375.01
CNNIteration=72026.0374.76
CNNIteration=62026.0374.57
CNNIteration=32026.0374.51
CNNIteration=Mean2026.0374.4
CNNIteration=22026.0374.2
CNNIteration=102026.0374.18
CNNIteration=52026.0373.97
CNNIteration=92026.0373.9
CNNIteration=42026.0373.89
SVMIteration=52026.0367.62
SVMIteration=92026.0367.49
SVMIteration=42026.0367.45
CNNIteration=82026.0367.43
SVMIteration=Mean2026.0366.76
SVMIteration=72026.0366.62
SVMIteration=22026.0366.54
SVMIteration=62026.0366.42
SVMIteration=12026.0366.18
SVMIteration=102026.0365.94
SVMIteration=32026.0365.93