Repurposed high-throughput images enable biological activity prediction for drug discovery
Authors:
- Jaak SimmJSJaak Simm
- Guenter KlambauerGKGuenter Klambauer
- Adam AranyAAAdam Arany
- Marvin SteijaertMSMarvin Steijaert
- Joerg Kurt WegnerJWJoerg Kurt Wegner
- Emmanuel GustinEGEmmanuel Gustin
- Vladimir ChupakhinVCVladimir Chupakhin
- Yolanda T. ChongYCYolanda T. Chong
- Jorge VialardJVJorge Vialard
- Peter BuijnstersPBPeter Buijnsters
- Ingrid VelterIVIngrid Velter
- Alexander VapirevAVAlexander Vapirev
Preprint
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.Keywords
All Related Versions
- Published version: Cell Chemical Biology, 25 (5), 611.
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