Pack: Isosteric transform library
Title: Isosteric transform library
Description
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.
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External: Link - (https://www.myexperiment.org/files/2286.html)
Added by Insilicoconsulting ... more than 1 year ago (2020-04-27 13:29:56)
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