Correction: Benchmarking Variable Selection in QSAR

Authors

  • Martin Eklund,

  • Ulf Norinder,

  • Scott Boyer,

  • Lars Carlsson

Errata

This article corrects:

  1. Benchmarking Variable Selection in QSAR Volume 31, Issue 2, 173–179, Article first published online: 8 February 2012

Some equations in the paper contain errors and some are unclear. This errata is provided for clarification.

I.

The equation in Section 2.3.2 on page 175 in the paper should be(1)

equation image(1)

II.

The first equation in the left column on page 177 should be(2)

equation image(2)
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are here the predictions for the left out y of the hth partition with the kth subset previously removed (in the outer loop of the double-loop cross-validation). These predictions depend on the value of θk and on the removed kth and hth partitions. Our estimate

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is taken to be the value of the argument θk that maximizes expression (2). The parameters of the model were estimated with both partitions removed (i.e. Dh,−k). AUC is the area under the receiver operating characteristics curve.

III.

The second equation in the left column on page 177 should be(3)

equation image(3)

IV.

The third equation in the left column on page 177 should be(4)

equation image(4)

where .

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V.

The forth equation in the left column on page 177 should be(5)

equation image(5)

where .

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Please contact the corresponding author of the paper if anything is unclear.

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