Influence of feature rankers in the construction of molecular activity prediction models.

Abstract

In the construction of activity prediction models, the use of feature ranking methods is a useful mechanism for extracting information for ranking features in terms of their significance to develop predictive models. This paper studies the influence of feature rankers in the construction of molecular activity prediction models; for this purpose, a comparative study of fourteen rankings methods for feature selection was conducted. The activity prediction models were constructed using four well-known classifiers and a wide collection of datasets. The ranking algorithms were compared considering the performance of these classifiers using different metrics and the consistency of the ranked features.