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. Please note that the binaries available for download here are historical software developed by the Laboratoire de Chemoinformatique (Université de Strasbourg / CNRS). They are provided as-is for reference, reproducibility and continued use, but they no longer receive updates, bug fixes or user support.
You can find our Open Source projects on GitHub.
libsvm-GAconfig : An evolutionary tuning of optimal operational parameters for the libsvm Support Vector Machine tool. (Linux). Download on GitLab.
Fragmentor : Software to calculate ISIDA descriptors. (Linux 64 bits, Windows 64 bits, MacOSX 64 bits). Download on GitLab.
EdChemS : Chemical structures editor. (Windows 32 & 64 bits). Included in the EdiSDF package.
EdiSDF : Visualisation, management and editing of SDF files. (Windows 32 & 64 bits). Download on GitLab.
QSPR ModelBuilder : Development and validation of MLR models based on ISIDA descriptors. (Windows 32 & 64 bits). Download on GitLab.
ModelAnalyzer : Program to analyze Classification and Regression models. (Linux, Windows, MacOS Yosemite). Download on GitLab.
ColorAtom : Tool for models interpretation. (Linux command line). Download on GitLab.
GTM : Generation of GTM (Generative Topographic Maps) models and related regression and classification models.
SOMView : Visualization and analysis of Kohonen maps of chemical spaces. (Linux command line and graphical user interface versions, Windows graphical user interface + examples). Download on GitLab.
S4MPLE : Conformational sampling and flexible docking. (x86_64 single-CPU version). Download on GitLab.
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