hERG 1.0 Server

The hERG 1.0 server predicts cardiotoxicity of drug molecules.

NOTE: documentation is in preparation.

The JME applet (Java Molecular Editor) used below has been provided by courtesy of dr Peter Ertl.

Instructions Output format Article abstract

SUBMISSION

Paste or import molecules in SMI format:
Construct a molecule:
Enable Java in your browser !
When done ...  

Submit a file in SMI format directly from your local disk:

Submit a file in SDF format directly from your local disk:

Sort by predicted toxicity          

Restrictions:
At most 100 compounds per submission.

Confidentiality:
The compounds are kept confidential and will be deleted after processing.


CITATIONS

For publication of results, please cite:

hERG Classification Model Based on a Combination of Support Vector Machine Method and GRIND Descriptors.
Li Q, Jørgensen FS, Oprea T, Brunak S, Taboureau O.
Mol Pharm: 4;5(1):117-127, 2008.

View the abstract.


GETTING HELP

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