Connecting Small Molecules with Similar Assay Performance Profiles Leads to New Biological Hypotheses.

ABSTRACT: High-throughput screening allows rapid identification of new candidate compounds for biological probe or drug development. Here, we describe a principled method to generate "assay performance profiles" for individual compounds that can serve as a basis for similarity searches and cluster analyses. Our method overcomes three challenges associated with generating robust assay performance profiles: (1) we transform data, allowing us to build profiles from assays having diverse dynamic ranges and variability; (2) we apply appropriate mathematical principles to handle missing data; and (3) we mitigate the fact that loss-of-signal assay measurements may not distinguish between multiple mechanisms that can lead to certain phenotypes (e.g., cell death). Our method connected compounds with similar

SUBMITTER: Dancik V 

PROVIDER: S-EPMC5554958 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature