Pack: Isosteric transform library

Created: 2020-04-27 13:23:39      Last updated: 2020-04-27 13:29:56
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Title: Isosteric transform library


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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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Non-Information Resource URI: https://www.myexperiment.org/packs/744


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