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Releases: Discngine/chemspace_knime

0.3.0 Self contained example & cleaned search

07 Dec 12:00
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Sets of nodes containing a self contained example for searching with the Schotten Baumann reaction & an input catalog of amines & carboxylic acids.

0.2.0 - Building Block, Reaction & Search examples

02 Dec 15:02
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Full example workflow to register building blocks & reactions, as well as searching for similar compounds

Building Blocks

14 Oct 07:48
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All components to register, get & delete building blocks