A radial distribution function approach to predict A2B agonist effect of adenosine analogues

The RDF descriptors have been applied to the study of the A2B agonist effect of adenosine analogues reported with this activity. A model able to describe more than 70% of the variance in the experimental activity was developed with the use of the mentioned approach. In contrast, none of the eleven different approaches was able to explain more than 47% of the variance in the mentioned property.