A collection of chemical reaction formulations for use with rdkit. Requires rdkit.
Project description
Click
Click is a collection of pre-made and tested reaction patterns to use with RDKit molecules. The reactions can be used to sequentially modify a molecule, or to create combinatorial libraries. Click is only doing the reaction as you've specified and does not check if the reaction would work.
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ClickReaction-0.1.1.tar.gz
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