Toxmatch

Toxmatch is an 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.