Top-1 Accuracy: 0.00Top-1 MCES: 21.11Top-1 Tanimoto: 0.08Top-10 Accuracy: 0.00
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De novo molecule generation from MS/MS spectrum (bonus chemical formulae)
논문
Top-1 Accuracy: 2.3Top-1 MCES: 18.45Top-1 Tanimoto: 0.28Top-10 Accuracy: 4.25
Top-1 Accuracy: 1.31Top-1 MCES: 27.47Top-1 Tanimoto: 0.20Top-10 Accuracy: 1.54