ProTox-II

ProTox-II: A virtual lab for the prediction of toxicities of small molecules.

Welcome to ProTox-II, a virtual lab for the prediction of toxicities of small molecules. The prediction of compound toxicities is an important part of the drug design development process. Computational toxicity estimations are not only faster than the determination of toxic doses in animals, but can also help to reduce the amount of animal experiments. To read more about reducing animal testing, go to Animal Ethics 3R.

ProTox-II incorporates molecular similarity, fragment propensities, most frequent features and (fragment similarity based CLUSTER cross-validation) machine-learning, based a total of 33 models for the prediction of various toxicity endpoints such as acute toxicity, hepatotoxicity, cytotoxicity, carcinogenicity, mutagenicity, immunotoxicity, adverse outcomes (Tox21) pathways and toxicity targets. To predict the toxicity of a compound, please click here. For a description of the server, methods and tutorials, go to FAQ. To see statistics about our training set as well as the cross-validation results, please go to Statistics and Model info.