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An Automatic Quality Control Pipeline for High-throughput Screening Hit Identification

Zhai, Yufeng and Chen, Kaisheng and Zhong, Yang and Zhou, Bin and Ainscow, Edward and Wu, Ying-Ta and Zhou, Yingyao (2016) An Automatic Quality Control Pipeline for High-throughput Screening Hit Identification. Journal of Molecular Screening, 21 (8). pp. 832-841. ISSN 10870571

Abstract

The correction or removal of signal errors in high throughput screening (HTS) data is critical to the identification of high quality lead candidates. Although a number of strategies have been previously developed to correct systematic errors and to remove screening artifacts, they are not universally effective and still require fair amount of human intervention. We introduce a fully-automated quality control (QC) pipeline that can correct generic inter-plate systematic errors and remove intra-plate random artifacts. The new pipeline was first applied to ~100 large-scale historical HTS assays, in silico analysis showed auto QC led to noticeably stronger structure-activity relationship (SAR). The method was further tested in several independent HTS runs, where QC results were sampled for experimental validation. Significantly increased hit confirmation rates were obtained after the QC steps confirming that the proposed method was effective in enriching true positive hits. An implementation of the algorithm is available to the screening community.

Item Type: Article
Keywords: High-throughput Screening, Automatic Quality Control, Artifact Correction
Date Deposited: 13 Aug 2016 00:45
Last Modified: 13 Aug 2016 00:45
URI: https://oak.novartis.com/id/eprint/28996

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