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QSARSetBuilder

May 16, 2022

QSARSetBuilder

May 16, 2022

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.

For StarDrop 7.3, download the Python script and associated documentation.

For StarDrop 7.2 or earlier please use the following files: Python script and associated documentation.