this is for holding javascript data
Somayeh edited CheS_Mapper_Chemical_Space_Mapper__.tex
over 8 years ago
Commit id: 89a003095b80c0a81dcca4471e0476838d53ae86
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CheS-Mapper (Chemical Space Mapper) is a 3D-viewer for small compounds in chemical datasets. It embeds a dataset into 3D space in such a way that the relationship between the structure of chemical compounds, their physico-chemical properties, and biological or toxic effects can be analyzed. In chemical space, compounds that have similar descriptor values
are places close to each other. CheS-Mapper can calculate variety of descriptors and supports clustering and 3D alignment \cite{G_tlein_2012}\cite{G_tlein_2014}.