Jul 30 2019
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.
|Copyright© 1989-2019, Molsoft,LLC - All Rights Reserved.|
This document contains proprietary and confidential information of
The content of this document may not be disclosed to third parties, copied or duplicated in any form,
in whole or in part, without the prior written permission from Molsoft, LLC.