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Sebastian Polak, Barbara Wiśniowska, Anna Glinka, Kamil Fijorek and Aleksander Mendyk Slow delayed rectifying potassium current (IKs) – analysis of the in vitro inhibition data and predictive model development Journal of Applied Toxicology 33

Version of Record online: 14 FEB 2012 | DOI: 10.1002/jat.2719

The IKr (hERG) current inhibition is considered to be the main target during the drug development process, although other ionic currents modification can either potentiate or mask hERG channel blockade. Database describing the results of in vitro studies investigating the chemical-IKs current interactions has been developed. Based on the collected data the predictive extended-QSAR models for the IC50 estimation were developed with the use of various algorithms. The best performing model was further built into the ToxComp platform (ToxIVIVE).

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