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  1. Journal of Computer-Aided Molecular Design
  2. Journal of Computer-Aided Molecular Design : Volume 28
  3. Journal of Computer-Aided Molecular Design : Volume 28, Issue 11, November 2014
  4. Count on kappa
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Journal of Computer-Aided Molecular Design : Volume 31
Journal of Computer-Aided Molecular Design : Volume 30
Journal of Computer-Aided Molecular Design : Volume 29
Journal of Computer-Aided Molecular Design : Volume 28
Journal of Computer-Aided Molecular Design : Volume 28, Issue 12, December 2014
Journal of Computer-Aided Molecular Design : Volume 28, Issue 11, November 2014
Count on kappa
Visually impaired researchers get their hands on quantum chemistry: application to a computational study on the isomerization of a sterol
AFAL: a web service for profiling amino acids surrounding ligands in proteins
A QM/MM study of the associative mechanism for the phosphorylation reaction catalyzed by protein kinase A and its D166A mutant
Exploring the dynamics and interaction of a full ErbB2 receptor and Trastuzumab-Fab antibody in a lipid bilayer model using Martini coarse-grained force field
Structural insights into binding of small molecule inhibitors to Enhancer of Zeste Homolog 2
Creating and virtually screening databases of fluorescently-labelled compounds for the discovery of target-specific molecular probes
Identification of novel peroxisome proliferator-activated receptor-gamma (PPARγ) agonists using molecular modeling method
Journal of Computer-Aided Molecular Design : Volume 28, Issue 10, October 2014
Journal of Computer-Aided Molecular Design : Volume 28, Issue 9, September 2014
Journal of Computer-Aided Molecular Design : Volume 28, Issue 8, August 2014
Journal of Computer-Aided Molecular Design : Volume 28, Issue 7, July 2014
Journal of Computer-Aided Molecular Design : Volume 28, Issue 6, June 2014
Journal of Computer-Aided Molecular Design : Volume 28, Issue 5, May 2014
Journal of Computer-Aided Molecular Design : Volume 28, Issue 4, April 2014
Journal of Computer-Aided Molecular Design : Volume 28, Issue 3, March 2014
Journal of Computer-Aided Molecular Design : Volume 28, Issue 2, February 2014
Journal of Computer-Aided Molecular Design : Volume 28, Issue 1, January 2014
Journal of Computer-Aided Molecular Design : Volume 27
Journal of Computer-Aided Molecular Design : Volume 26
Journal of Computer-Aided Molecular Design : Volume 25
Journal of Computer-Aided Molecular Design : Volume 24
Journal of Computer-Aided Molecular Design : Volume 23
Journal of Computer-Aided Molecular Design : Volume 22
Journal of Computer-Aided Molecular Design : Volume 21
Journal of Computer-Aided Molecular Design : Volume 20
Journal of Computer-Aided Molecular Design : Volume 19
Journal of Computer-Aided Molecular Design : Volume 18
Journal of Computer-Aided Molecular Design : Volume 17
Journal of Computer-Aided Molecular Design : Volume 16
Journal of Computer-Aided Molecular Design : Volume 15
Journal of Computer-Aided Molecular Design : Volume 14
Journal of Computer-Aided Molecular Design : Volume 13
Journal of Computer-Aided Molecular Design : Volume 12
Journal of Computer-Aided Molecular Design : Volume 11

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Count on kappa

Content Provider Springer Nature Link
Author Czodrowski, Paul
Copyright Year 2014
Abstract In the 1960s, the kappa statistic was introduced for the estimation of chance agreement in inter- and intra-rater reliability studies. The kappa statistic was strongly pushed by the medical field where it could be successfully applied via analyzing diagnoses of identical patient groups. Kappa is well suited for classification tasks where ranking is not considered. The main advantage of kappa is its simplicity and the general applicability to multi-class problems which is the major difference to receiver operating characteristic area under the curve. In this manuscript, I will outline the usage of kappa for classification tasks, and I will evaluate the role and uses of kappa in specifically machine learning and cheminformatics.
Starting Page 1049
Ending Page 1055
Page Count 7
File Format PDF
ISSN 0920654X
Journal Journal of Computer-Aided Molecular Design
Volume Number 28
Issue Number 11
e-ISSN 15734951
Language English
Publisher Springer International Publishing
Publisher Date 2014-07-11
Publisher Place Cham
Access Restriction One Nation One Subscription (ONOS)
Subject Keyword Kappa statistics Cheminformatics Machine learning Classification Physical Chemistry Computer Applications in Chemistry Animal Anatomy / Morphology / Histology
Content Type Text
Resource Type Article
Subject Drug Discovery Physical and Theoretical Chemistry Computer Science Applications
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