Somayeh edited CheS_Mapper_Chemical_Space_Mapper__.tex  over 8 years ago

Commit id: 89a003095b80c0a81dcca4471e0476838d53ae86

deletions | additions      

       

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}.