Small Molecule Subgraph Detector (SMSD) toolkit

Overview of attention for article published in Journal of Cheminformatics, August 2009

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jcheminf.biomedcentral.com - Creating a computable chemical taxonomy requires three key components: (1) a well-defined…

en.wikipedia.org - This page describes mining for molecules. Since molecules may be represented by molecular graphs this is…

A lot of changes in this release: the SMSD code (see doi:10.1186/1758-2946-1-12), removed outdated code (force field, R-CDK…

Following the steps of the IU Cheminformatics Journal Club, I have started a UU Cheminformatics Journal Club:Hi all, after…

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