Radial Distribution Function descriptors for predicting affinity for vitamin D receptor

The QSAR is an alternative method for the research of new and better Vitamin D analogues with affinity for the VDR receptor. This paper describes the results of applying the RDF descriptors approach for predicting the VDR affinity. LOO, bootstrapping and test set validation were carried out with the aim of evaluating the predictive power of the model. The RDF approach was compared with four other predictive models.