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. Author manuscript; available in PMC: 2022 Dec 1.
Published in final edited form as: Anal Bioanal Chem. 2021 Oct 14;413(30):7495–7508. doi: 10.1007/s00216-021-03713-w

Table 4.

Confusion matrices and performance metrics for ESI+ and ESI− downsampled model predictions compared to external validation data

Amenable
(prediction)
Unamenable
(prediction)
ESI− downsampled model
Detected (experiment) 323 502
Not-detected (experiment) 68 874
Sensitivity 0.83
Specificity 0.64
Balanced accuracy 0.73
ESI+ downsampled model
Detected (experiment) 423 402
Not-detected (experiment) 103 839
Sensitivity 0.80
Specificity 0.68
Balanced accuracy 0.74
Combined models
Detected (experiment) 505 320
Not-detected (experiment) 129 813
Sensitivity 0.80
Specificity 0.72
Balanced accuracy 0.76