Author: Eugene Muratov

Tuning hERG Out: Antitarget QSAR Models for Drug Development

Feb 11, 2014 - Publication
Several non-cardiovascular drugs have been withdrawn from the market due to their inhibition of hERG K+ channels that can potentially lead to severe heart arrhythmia and death. As hERG sa…

Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

Jun 24, 2010 - Publication
With the recent advent of high-throughput technologies for both compound synthesis and biological screening, there is no shortage of publicly or commercially available data sets and datab…