Plate-based diversity subset screening generation 2: an improved paradigm for high-throughput screening of large compound files

Andrew S. Bell, Joseph Bradley, Jeremy R. Everett, Jens Loesel, David McLoughlin, James Mills, Marie-Claire Peakman, Robert E. Sharp, Christine Williams, Hongyao Zhu
2016 Molecular diversity  
High-throughput screening (HTS) is an effective method for lead and probe discovery that is widely used in industry and academia to identify novel chemical matter and to initiate the drug discovery process. However, HTS can be time consuming and costly and the use of subsets as an efficient alternative to screening entire compound collections has been investigated. Subsets may be selected on the basis of chemical diversity, molecular properties, biological activity diversity or biological
more » ... focus. Previously, we described a novel form of subset screening: plate-based diversity subset (PBDS) screening, in which the screening subset is constructed by plate selec-Electronic supplementary material The online version of this article (
doi:10.1007/s11030-016-9692-9 pmid:27631533 pmcid:PMC5055576 fatcat:6qekfzfnv5bzpiq4sgj23mueim