| Cardiac Toxicity Predictor |
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| A representative mechanism of cardiac toxicity involves the binding of compounds to the cardiac potassium channel encoded by the human ether-a-go-go-related gene (hERG). CardPred predicts hERG-related toxicity of query molecule by calculating the possibility of hERG channel blocking. |
Server Submission |
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Since CardPred calculates molecular descriptors relies on SMILES (Simplified Molecular-Input Line-Entry System), jobs can currently only be submitted by using SMILES. |
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Please enter correct SMILES.
To predict toxicity of multiple molecules simultaneously, SMILES file with name extension '.smi' can alternatively be queried. For this query file, please input SMILES line by line.
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Citation: Lee, H., Yu, M., Kazmi, S.R. et al. Computational determination of hERG-related cardiotoxicity of drug candidates. BMC Bioinformatics 20, 250 (2019)
Bug reports: blisszen [at] cau.ac.kr
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School of integrative engineering Chung-Ang University, Korea |