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Table 5 The performance of classification models for the manually curated TMC test set

From: Profiling and analysis of chemical compounds using pointwise mutual information

Model

AUC

Acc

SN

SP

SYBA

0.903

0.871

0.902

0.840

SAScore

0.865

0.859

0.799

0.919

ZRFT

0.871

0.831

0.827

0.836

RF

0.875

0.842

0.855

0.828

  1. Quality measures AUC, Acc, SN and SP are reported as their average values over 30 TMC instances. Results for SYBA, SAScore and RF classification are taken from SYBA publication [37]
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Journal of Cheminformatics

ISSN: 1758-2946

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