Quantitative prediction of selectivity between the A1 and A2A adenosine receptors

Abstract The development of drugs is often hampered due to off-target interactions leading to adverse effects. Therefore, computational methods to assess the selectivity of ligands are of high interest. Currently, selectivity is often deduced from bioactivity predictions of a ligand for multiple tar...

Full description

Bibliographic Details
Main Authors: Lindsey Burggraaff, Herman W. T. van Vlijmen, Adriaan P. IJzerman, Gerard J. P. van Westen
Format: Article
Language:English
Published: BMC 2020-05-01
Series:Journal of Cheminformatics
Subjects:
Online Access:http://link.springer.com/article/10.1186/s13321-020-00438-3