Analysis of High-throughput Screening Data
The following example uses a publicly available set of over 1000 compounds with data from a COX-2 inhibition screen. The example demonstrates different ways to analyse the inhibition data from an HTS campaign to identify high quality chemotypes for optimisation. Whilst many HTS campaigns provide much larger data sets than this, the principles demonstrated here can be applied to much larger data sets.
Please note that the tutorial explores core features of StarDrop and the ADME QSAR module. If you don’t have access to this module and would like to arrange a free trial license, please email us