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Showing 6 open source projects for "virtual screening"

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  • 1

    pharmit

    Open-source online virtual screening tools for large databases

    1 Review
    Downloads: 0 This Week
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  • 2
    SMSD

    SMSD

    SMSD is a Java based software library for calculating MCS.

    SMSD is a Java based software library for calculating Maximum Common Subgraph (MCS) between small molecules. This will help us to find similarity/distance between two molecules. MCS is also used for screening drug like compounds by hitting molecules, which share common subgraph (substructure).
    Downloads: 0 This Week
    Last Update:
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  • 3

    VSViewer3D

    3D Virtual Screening Viewer

    This project is an interactive viewer for 3D virtual screening data.
    Downloads: 0 This Week
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  • 4

    CS Miner

    A tool for Navigating in Chemical Space

    CS-Miner stands for Chemical Space Miner and is a software tool for navigating in chemical space of compound databases. It helps for deriving appropriate classification models and performing virtual screening. Download it via: http://csminer.com/csm/?p=7 A quick tutorial is available through: http://csminer.com/csm/?p=8
    Downloads: 2 This Week
    Last Update:
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  • 5
    ScreeningAssistant is a software based on JOELib and dedicated to the management of chemical databases. It allows the user to select a set of compounds for screening tests (High Throughput Screening or Virtual Screening).
    Downloads: 0 This Week
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  • 6
    ChemCpp is a C++ toolbox for chemoinformatics focusing on the computation of kernel functions between chemical compounds. Together with Support Vector Machines, these kernel functions find natural applications for virtual screening of molecules.
    Downloads: 0 This Week
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