Welcome to the ChemAxon discovery group sandbox pages. Here you can find
online product demos and technology previews.
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JKlustor demo
JKlustor online demo allows you to execute different clustering algorithms on
molecules. You can upload structures from your computer or from a remote web
address.
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Generate 3D demo
Generate 3D online demo allows you to low energy generate 3D conformer for
structures specified by name or SMILES source. Drawing using MSketch applet and
upload from your computer also possible.
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Alignment GUI early preview
A Java WebStart application calculating 3D felxible alignment of multiple
structures can be accessed here.
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Predefined clusterings
Server mode JKlustor run on different input sets available
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More to come
In the near future this ssandbox will be extended with descriptors, screening,
fingerprints (ECFP), MMFF forcefield, etc
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