Matched Series for SAR Analysis

Tuesday, 09 June 2015 00:00
Edmund Champness

This worked example considers a publically available set of PPARγ pIC50 data which contains a number of chemical series. Matched Series Analysis is used to identify when a substitution from one series has a high likelihood of improving the binding of another series at PPARγ. This approach is then further applied to help analyse the project’s SAR to generate hypotheses regarding binding modes and identify possible anomalous measurements for further investigation.

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Last Updated on Monday, 18 June 2018 17:16