The open-access dataset for insilico cardiotoxicity prediction system

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Title	The open-access dataset for insilico cardiotoxicity prediction system
Authors	Sebastian Polak¹*, Barbara Wisniowska¹, Kamil Fijorek², Anna Glinka¹, Milosz Polak¹, Aleksander Mendyk³
Affiliation	¹Unit of Pharmacoepidemiology and Pharmacoeconomics, Jagiellonian University, Medical College, Cracow, Poland, Medyczna 9 Str., 30-688 Kraków, Poland; ²Department of Statistics, Faculty of Management Cracow University of Economics Rakowicka 27 Str., 31-510 Kraków, Poland; ³Department of Pharmaceutical Technology and Biopharmaceutics, Faculty of Pharmacy, Jagiellonian University, Medical College, Cracow, Poland, Medyczna 9 Str., 30-688 Kraków, Poland
Email	spolak@cm-uj.krakow.pl; *Corresponding author
Article Type	Dataset
Phone	(+) 4812 6205 517
Fax	(+) 4812 6205 820
Date	Received May 05, 2011; Accepted May 09, 2011; Published June 06, 2011
Abstract	Drug cardiotoxicity is one of the main reasons of fatal drug related problem events and the subsequent withdrawals. Therefore, its early assessment is a crucial element of the drug development process. For the drug driven hERG inhibition assessment, which is assumed to be the main reason for toxicity, in vitro techniques are used. Gold standards are based on the Patch Clamp method with the use of various cell models but due to its low throughput, insilico models have become more appreciated. To develop a reliable empirical QSAR model, wide dataset containing a variety of cases has to be available. In this article, a freely available for download, set of data is described. It is based on literature peer-reviewed reports and contains hERG inhibition information expressed as IC50 value for 263 molecules described in 642 records. All studies were done with the use of three cell models (XO, CHO, HEK) and other elements describe the electrophysiological settings of the in vitro study. The above mentioned set was used for the successful development of the predictive models.
Citation	*Polak et al.* Bioinformation 6(6): 244-245 (2011)
Edited by	P Kangueane
ISSN	0973-2063
Publisher	Biomedical Informatics
License	This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.