ADVERPred: in-silico prediction of adverse drug effects such as Arrhythmia, Cardiac failure, Hepatotoxicity, Myocardial infarction, Nephrotoxicity and Myocardial infarction
Prediction is based on PASS (Prediction of Activity Spectra for Substances) technology (https://www.way2drug.com/PASSonline) and the training sets created on the basis of manually curated information from drug labels
Use SMILES, MOL file or Marvin Javascript applet for input data on a structure of test compound.
Training data sets you can download here.
Please cite us: Ivanov S.M., Lagunin A.A., Rudik A.V., Filimonov D.A., Poroikov V.V. ADVERPred – web service for prediction of adverse effects of drugs. Journal of Chemical Information and Modeling, 2018, 58(1), 8-11 (doi: 10.1021/acs.jcim.7b00568)