Coordination number prediction using learning classifier systems: performance and interpretability

The prediction of the coordination number (CN) of an amino acid in a protein structure has recently received renewed attention. In a recent paper, Kinjo et al. proposed a real-valued definition of CN and a criterion to map it onto a finite set of classes, in order to predict it using classification approaches. The literature reports several kinds of input information used for CN prediction. The aim of this paper is to assess the performance of a state-of-the-art learning method, Learning Classifier Systems (LCS) on this CN definition, with various degrees of precision, based on several combinations of input attributes. Moreover, we will compare the LCS performance to other well-known learning techniques. Our experiments are also intended to determinethe minimum set of input information needed to achieve good predictive performance, so as to generate competent yet simple and interpretable classification rules. Thus, the generated predictors (rule sets) are analyzed for their interpretability.