Showing 2 open source projects for "structural software"

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    Toxmatch

    Exploring chemical similarity

    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.
    Downloads: 0 This Week
    Last Update:
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  • 2
    I.S.A.A.C.S. Interactive Structure Analysis of Amorphous and Crystalline Systems is a cross-platform software developed to analyze the structural characteristics of three-dimensional models built by computer simulations.
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    Downloads: 6 This Week
    Last Update:
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