ISIDA Package


    The ISIDA Package is a suite of chemoinformatics tools developed in our lab.
    Please check their short description below to select the tool that best suits your needs.

    libsvm-GAconfig : An evolutionary tuning of optimal operational parameters for the libsvm Support Vector Machine tool.

    Fragmentor : Software to calculate ISIDA descriptors.

    EdChemS : Chemical structures editor.

    EdiSDF : Visualisation, management and editing of SDF files.

    QSPR ModelBuilder : Development and validation of MLR models based on ISIDA descriptors.

    ModelAnalyzer : Program to analyze Classification and Regression models.

    ColorAtom : Tool for models interpretation.

    GTM : Generation of GTM (Generative Topographic Maps) models and related regression and classification models.
    Online version on Mobyle

    SOMView : Visualization and analysis of Kohonen maps of chemical spaces.

    S4MPLE : Conformational sampling and flexible docking.

    If you wish to use one or more of our tools, please fill the form below :

    • Please select one or more tool(s)