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...
Main Authors: | , , , |
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Format: | Article |
Language: | English |
Published: |
BMC
2020-05-01
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Series: | Journal of Cheminformatics |
Subjects: | |
Online Access: | http://link.springer.com/article/10.1186/s13321-020-00438-3 |