ClassyFire: automated chemical classification with a comprehensive, computable taxonomy
Computational Chemistry Daily,
jcheminf.biomedcentral.com - Creating a computable chemical taxonomy requires three key components: (1) a well-defined…
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A lot of changes in this release: the SMSD code (see doi:10.1186/1758-2946-1-12), removed outdated code (force field, R-CDK…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…