Cross entropy clustering

My kids love mickey mouse. ;-) If you have mickey mouse plot, can you cluster the data reasonably ? R package named gmum.r provides interesting solution to do it. The package has many features for data analysis. If reader who has interest it please use it. I used the package to cluster mickey mouse data!Continue reading “Cross entropy clustering”

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An article about PDE2a Inhibitors

I read an article on my way to work in this morning. It was very exciting article for me. A story about PDE2a inhibitors. http://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.6b01793 PDE2a is one of Phosphodiesterase family and be interested in PDE inhibitors for the treatment of CNS disorders. In the article, the SAR started from HTS hit 3. They gotContinue reading “An article about PDE2a Inhibitors”

High speed sorting algorithm ( sketch sort )

Somedays ago, I attended CBI about AI for drug discovery. A presenter introduced about sorting algorithm named “sketch sort”. Detail of the algorithm is described in following url. Click to access tabei10a.pdf The algorithm can k-search nearest neighbor in short time. The source code has been published in google corde archive. I tried to sortContinue reading “High speed sorting algorithm ( sketch sort )”