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Grouped compounds together w/ k-means clustering then displayed it using R-Shiny front end. The criteria for comparison are h-bond donators, h-bond acceptors, and rotational bonds. Compound.csv is made w/ 1000 random chemicals from disgenet.org
Minoo-Kim/3D-Clusterplot
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Grouped compounds together w/ k-means clustering then displayed it using R-Shiny front end. The criteria for comparison are h-bond donators, h-bond acceptors, and rotational bonds. Compound.csv is made w/ 1000 random chemicals from disgenet.org
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