title: Count on kappa.
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.
authors.affiliation: Merck KGaA, Frankfurter Strasse 250, 64293, Darmstadt, Germany, paul.czodrowski@merckgroup.com.
authors.forename: Paul
authors.initials: P
authors.lastname: Czodrowski
mesh_terms: D001185:Artificial Intelligence; D003627:Data Interpretation, Statistical; D006801:Humans; D008962:Models, Theoretical