Projects supporting the mol data format.


Logo Rchemcpp 1.99.0

by klambaue - September 10, 2013, 09:10:13 CET [ Project Homepage BibTeX Download ] 2650 views, 734 downloads, 1 subscription

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About: The Rchemcpp package implements the marginalized graph kernel and extensions, Tanimoto kernels, graph kernels, pharmacophore and 3D kernels suggested for measuring the similarity of molecules.

Changes:

Moved from CRAN to Bioconductor. Improved handling of molecules, visualization and examples.