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16th April 2012 @ 12:06
A cityscape map was created showing compounds that are similar to two compounds, TCMDC 135294 and TCMDC 134395 in same way as before
purchasable chemical space map centered on OSDD synthesised compounds

In the map, compounds are represented as nodes and connected to another node by an edge if the similarity between them is >0.3 using ECFP_4 fingerprints.
Nodes in the map are coloured by ALogP values and labelled with E-molecules ID
Attached Files