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Table 3 10 fold cross validation results for various meta features on meta validation set

From: CardioTox net: a robust predictor for hERG channel blockade based on deep learning meta-feature ensembles

Meta Features

Base features

MCC

NPV

ACC

PPV

SPE

SEN

AUC

M1-1

DESC, DESC

0.676

0.829

0.838

0.862

0.868

0.819

0.909

M1-2

MGF, MGF

0.599

0.784

0.799

0.815

0.792

0.806

0.878

M1-3

MFP, MFP

0.682

0.829

0.840

0.853

0.838

0.843

0.909

M1-4

FPeV, FPeV

0.636

0.820

0.817

0.819

0.795

0.839

0.897

M1-5

SeV, SeV

0.621

0.806

0.809

0.816

0.791

0.828

0.880

M2-1

MGF, MFP

0.691

0.826

0.846

0.864

0.850

0.842

0.919

M2-2

MGF, DESC

0.683

0.818

0.842

0.865

0.848

0.835

0.914

M2-3

MGF, SeV

0.685

0.837

0.842

0.848

0.830

0.854

0.916

M2-4

MGF, FPeV

0.682

0.828

0.841

0.854

0.833

0.848

0.916

M2-5

MFP, DESC

0.710

0.843

0.855

0.866

0.855

0.855

0.928

M2-6

MFP, SeV

0.698

0.838

0.849

0.861

0.844

0.853

0.921

M2-7

MFP, FPeV

0.690

0.831

0.845

0.859

0.840

0.850

0.920

M2-8

DESC, SeV

0.707

0.847

0.853

0.860

0.846

0.861

0.926

M2-9

DESC, FPeV

0.715

0.848

0.857

0.867

0.859

0.856

0.929

M2-10

SeV, FPeV

0.680

0.828

0.840

0.853

0.835

0.845

0.918

M3-1

MGF, MFP, DESC

0.707

0.851

0.853

0.857

0.841

0.866

0.924

M3-2

MGF, MFP, SeV

0.711

0.855

0.855

0.857

0.835

0.874

0.927

M3-3

MGF, MFP, FPeV

0.701

0.849

0.850

0.853

0.833

0.867

0.921

M3-4

MGF, DESC, SeV

0.710

0.847

0.855

0.864

0.849

0.861

0.926

M3-5

MGF, DESC, FPeV

0.706

0.853

0.852

0.855

0.831

0.874

0.928

M3-6

MGF, SeV, FPeV

0.697

0.844

0.849

0.854

0.838

0.859

0.925

M3-7

MFP, DESC, SeV

0.718

0.854

0.859

0.865

0.850

0.868

0.930

M3-8

MFP, DESC, FPeV

0.710

0.850

0.855

0.861

0.846

0.864

0.926

M3-9

MFP, SeV, FPeV

0.699

0.837

0.849

0.862

0.848

0.851

0.925

M3-10

DESC, SeV, FPeV

0.712

0.846

0.856

0.866

0.854

0.858

0.928

M4-1

MGF, MFP, DESC, SeV

0.711

0.850

0.855

0.861

0.841

0.869

0.927

M4-2

MGF, MFP, DESC, FPeV

0.719

0.851

0.860

0.869

0.853

0.867

0.929

M4-3

MGF, MFP, SeV, FPeV

0.705

0.846

0.852

0.859

0.846

0.859

0.921

M4-4

MGF, DESC, SeV, FPeV

0.707

0.849

0.853

0.859

0.841

0.865

0.926

M4-5

MFP, DESC, SeV, FPV

0.720

0.849

0.860

0.871

0.856

0.864

0.930

M5-1

MGF, DESC, SeV, FPeV, MFP

0.717

0.853

0.858

0.864

0.850

0.867

0.925

  1. Standard deviation value for each split for the above table is given in Additional file 1: S4
  2. Highest values in each metric is given in bold