RT Journal Article
SR Electronic
T1 Repurposed high-throughput images enable biological activity prediction for drug discovery
JF bioRxiv
FD Cold Spring Harbor Laboratory
SP 108399
DO 10.1101/108399
A1 Jaak Simm
A1 Günter Klambauer
A1 Adam Arany
A1 Marvin Steijaert
A1 Jörg Kurt Wegner
A1 Emmanuel Gustin
A1 Vladimir Chupakhin
A1 Yolanda T. Chong
A1 Jorge Vialard
A1 Peter Buijnsters
A1 Ingrid Velter
A1 Alexander Vapirev
A1 Shantanu Singh
A1 Anne Carpenter
A1 Roel Wuyts
A1 Sepp Hochreiter
A1 Yves Moreau
A1 Hugo Ceulemans
YR 2017
UL http://biorxiv.org/content/early/2017/03/30/108399.abstract
AB 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.