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bioRxivPharmacology & Toxicology

Repurposed High-Throughput Images Enable Biological Activity Prediction For Drug Discovery

J. Simm, G. Klambauer, A. Arany, M. Steijaert, J. K. Wegner, E. Gustin, V. Chupakhin, Y. T. Chong, J. Vialard, P. Buijnsters, I. Velter, A. Vapirev, S. Singh, A. Carpenter, R. Wuyts, S. Hochreiter, Y. Moreau, H. Ceulemans

PDFDOIPreprint

Abstract

We repurpose a High-Throughput (cell) Imaging (HTI) screen of a glucocorticoid receptor assay to predict target protein activity in multiple other seemingly unrelated assays. In two ongoing drug discovery projects, our repurposing approach increased hit rates by 60- to 250-fold over that of the primary project assays while increasing the chemical structure diversity of the hits. Our results suggest that data from available HTI screens are a rich source of information that can be reused to empower drug discovery efforts.

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