Hansel CS, Yousefian S, Klemm AH, Carreras-Puigvert J
KNIME blog https://www.knime.com/blog/a-workflow-for-high-throughput-screening-data-analysis-processing-and-hit-identification (-) - [2020-11-30; online 2020-06-19]
High-throughput biochemical and phenotypic screening (HTS) is a gold standard technique for drug discovery. Using automation, the effects of thousands of compounds can be evaluated on cultured cells, or using biochemical in vitro assays. By doing so, “hit” compounds can be identified that modulate the readout(s) favourably. Since HTS is typically conducted with large compound libraries under several conditions, the raw data generated is often very large and split over a number of spreadsheets/table-like sheets containing data. Therefore, we have created a KNIME workflow to help process and assess large sets of raw data generated from HTS. This workflow automatically imports HTS data and processes it to identify hits with tunable criteria. This means that the user is able to choose different thresholds to identify a compound considered as a hit. Additionally, three commonly used quality control measures, the Z-Prime, signal/background (S/B) and CV, are calculated in the workflow and are visualized in a comprehensive manner.