Feb 23 2023
[ Chemical clustering | Center | Re-order and Distance | Edit tree | Auto Close | Max Common Substructure | R-Group Decomposition ]
Clustering is described in more detail in the Tables Clustering section of this manual. To undertake chemical clustering choose:
To make working with large cluster trees a little easier you can activate the auto close mode which will close downstream clusters and make them more compact.
To do this:
To calculate the Maximum Common Substructure (MCS) for nodes in a treee:
To perform R-group decomposition directly from a cluster node:
The resulting table can be used for R-Group Enumeration or SAR.
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