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14th April 2012 @ 15:18
Cytoscape maps were generated based on transformations for compounds synthesized using both the Classic transformation and database transformation components in Pipeline Pilot (A commercial product).

Two reports were generated focusing on just ZYH-3-1 child compounds that would have a ALogP<5 resulting from both types of transformations. There is also a pdf showing a map centered on ZYH-3-1

In the maps,
Node ID shows the type of transformation
Node size reflects the ALogP of the compound, larger nodes have LOWER values. The smallest nodes have ALOGP >5
Node colour reflects the change in AlogP of the child compound vs the original. Red nodes indicate in a drop of >1, Green nodes a change of >0.5 while Blue nodes indicate an INCREASE ALogP
Attached Files
Bioisosteric_map_focused_on_ZYH31
Bioisosteric_map
classic_bioisosteric_report_for_ZYH31
Database_Bioisosteric_report_for_ZYH_31