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dc.contributor.authorLätti, Sakari
dc.contributor.authorNiinivehmas, Sanna
dc.contributor.authorPentikäinen, Olli
dc.date.accessioned2016-09-12T04:26:38Z
dc.date.available2016-09-12T04:26:38Z
dc.date.issued2016
dc.identifier.citationLätti, S., Niinivehmas, S., & Pentikäinen, O. (2016). Rocker : Open source, easy-to-use tool for AUC and enrichment calculations and ROC visualization. <em>Journal of Cheminformatics</em>, 8 (45). <a href="http://dx.doi.org/10.1186/s13321-016-0158-y">doi:10.1186/s13321-016-0158-y</a>
dc.identifier.otherTUTKAID_71109
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/51307
dc.description.abstractReceiver 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).
dc.language.isoeng
dc.publisherSpringer International Publishing; Chemistry Central
dc.relation.ispartofseriesJournal of Cheminformatics
dc.subject.otherreceiver operating characteristics
dc.subject.otherarea under curves
dc.subject.otherautomatic calculation
dc.subject.othersoftwares
dc.subject.otherRocker
dc.titleRocker : Open source, easy-to-use tool for AUC and enrichment calculations and ROC visualization
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201609084050
dc.contributor.laitosBio- ja ympäristötieteiden laitosfi
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosThe Department of Biological and Environmental Scienceen
dc.contributor.laitosDepartment of Physicsen
dc.contributor.oppiaineSolu- ja molekyylibiologia
dc.contributor.oppiaineFysiikka
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2016-09-08T12:15:07Z
dc.type.coarjournal article
dc.description.reviewstatuspeerReviewed
dc.relation.issn1758-2946
dc.relation.volume8
dc.type.versionpublishedVersion
dc.rights.copyright© 2016 The Author(s). This article is distributed under the terms of the Creative Commons Attribution 4.0 International License.
dc.rights.accesslevelopenAccessfi
dc.rights.urlhttps://creativecommons.org/licenses/by/4.0/
dc.relation.doi10.1186/s13321-016-0158-y


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© 2016 The Author(s). This article is distributed under the terms of the Creative Commons Attribution 4.0 International License.
Except where otherwise noted, this item's license is described as © 2016 The Author(s). This article is distributed under the terms of the Creative Commons Attribution 4.0 International License.