Rocker : Open source, easy-to-use tool for AUC and enrichment calculations and ROC visualization
Lätti, S., Niinivehmas, S., & Pentikäinen, O. (2016). Rocker : Open source, easy-to-use tool for AUC and enrichment calculations and ROC visualization. Journal of Cheminformatics, 8(45). https://doi.org/10.1186/s13321-016-0158-y
Julkaistu sarjassa
Journal of CheminformaticsPäivämäärä
2016Tekijänoikeudet
© 2016 The Author(s). This article is distributed under the terms of the Creative Commons Attribution 4.0 International License.
Receiver operating characteristics (ROC) curve with the calculation of area under curve (AUC) is a useful tool to evaluate
the performance of biomedical and chemoinformatics data. For example, in virtual drug screening ROC curves are
very often used to visualize the efficiency of the used application to separate active ligands from inactive molecules.
Unfortunately, most of the available tools for ROC analysis are implemented into commercially available software
packages, or are plugins in statistical software, which are not always the easiest to use. Here, we present Rocker, a
simple ROC curve visualization tool that can be used for the generation of publication quality images. Rocker also
includes an automatic calculation of the AUC for the ROC curve and Boltzmann-enhanced discrimination of ROC
(BEDROC). Furthermore, in virtual screening campaigns it is often important to understand the early enrichment of
active ligand identification, for this Rocker offers automated calculation routine. To enable further development of
Rocker, it is freely available (MIT-GPL license) for use and modifications from our web-site (http://www.jyu.fi/rocker).
...
Julkaisija
Springer International Publishing; Chemistry CentralISSN Hae Julkaisufoorumista
1758-2946Asiasanat
Julkaisu tutkimustietojärjestelmässä
https://converis.jyu.fi/converis/portal/detail/Publication/26202181
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Ellei muuten mainita, aineiston lisenssi on © 2016 The Author(s). This article is distributed under the terms of the Creative Commons Attribution 4.0 International License.
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