Toxmatch

Toxmatch is a flexible and user-friendly open-source software application that encodes several chemical similarity indices to facilitate the grouping of chemicals into categories and read-across. The core functionalities include the ability to compare datasets based on various structural and descriptor-based similarity indices as well as the means to calculate pair wise similarity between compounds or aggregated similarity of a compound to a set. The software is made freely available as a service to scientific researchers and anyone with an interest in the application of computer-based estimation methods in the assessment of chemical toxicity. The results viewable in a graphical user interface like scatter plots, pair wise or composite similarity histograms and similarity matrices can be exported as .jpg and .png formats.