Insilicoconsulting's Packs

Search filter terms
Filter by tag
Filter by licence
Results per page:
Sort by:
Showing 1 result.
Creator

Pack Isosteric transform library


Created: 2020-04-27 13:23:39 | Last updated: 2020-04-27 13:29:56

This Isostere pack contains files where isosteric transforms have been generated from a variety of sources and equivalent chemical descriptors.For example one can generate a measure of CDK molecular complexity (branching and ring order add complexity) and then find fragments , frequently occurring R-groups or small molecules that have same value. This naturally leads to well known isosteres, amongst others.

1 item in this pack

Comments: 0 | Viewed: 62 times | Downloaded: 0 times

Tags:

Results per page:
Sort by: