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Table 2 Testing the fingerprints used in TB Mobile 2.0

From: New target prediction and visualization tools incorporating open source molecular fingerprints for TB Mobile 2.0

Dataset

Leave one out ROC published

Reference

Leave one out ROC in this study

Combined model (5304 molecules) ECFP_6 fingerprints

N/A

N/A

0.77

Combined model (5304 molecules) FCFP_6 fingerprints

0.71

[47]

0.77

MLSMR dual event model (2273 molecules) and ECFP_6 fingerprints

N/A

N/A

0.84

MLSMR dual event model (2273 molecules) and FCFP_6 fingerprints

0.86

[46]

0.83

  1. Previously published Mtb HTS datasets were used for Bayesian model building. Published studies used FCFP_6 descriptors and several interpretable descriptors were also included [46,47].
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Journal of Cheminformatics

ISSN: 1758-2946

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