With the help of toxicity QSAR models, prediction of 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) can also be done.
If you interested these projects, please contact us: firstname.lastname@example.org