Toxicity Prediction

With the help of around 50 toxicity and pharmacokinetic properties QSAR models, prediction of pharmacokinetic properties and toxic effects of small molecules can be done. Used QSAR models are developed based on manually-curated large database of molecular interactions, molecular pathways, gene-disease associations, chemical metabolism and toxicity information.

Virtual screening of a large set of small molecules against a specific toxicity (i.e., cardiotoxicity, hepatotoxicity, neurotoxicity, nefrotoxicity, etc.) can also be done.

If you interested these projects, please contact us: