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QSARSetBuilder

Monday, 19 March 2018 04:08
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Travis Hesketh

This script was developed by Travis Hesketh as part of an undergraduate industrial placement. It explores combinations of assay data for the same target within ChHEMBL to identify those assays that are most likely to result in a high quality training set of consistent data.

More details of this script and its objectives were described in Travis' presentation at the 2018 ACS Spring National Meeting.

Download the Python script and associated documentation.

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Last Updated on Friday, 20 April 2018 12:22