Discovery of a Novel DCAF1 Ligand Using a Drug–Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets

Kimani, Serah W.; Owen, Julie; Green, Stuart R.; Li, Fengling; Li, Yanjun; Dong, Aiping; Brown, Peter J.; Ackloo, Suzanne; Kuter, David; Yang, Cindy; MacAskill, Miranda; MacKinnon, Stephen Scott; Arrowsmith, Cheryl H.; Schapira, Matthieu; Shahani, Vijay; Halabelian, Levon

doi:10.1021/acs.jcim.3c00082

Discovery of a Novel DCAF1 Ligand Using a Drug–Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets

Journal Article · 23 June 2023 · Journal of Chemical Information and Modeling

DOI:https://doi.org/10.1021/acs.jcim.3c00082· OSTI ID:2423385

Kimani, Serah W. ^[1]; Owen, Julie ^[2]; ^[3]; Li, Fengling ^[3]; Li, Yanjun ^[3]; Dong, Aiping ^[3]; ^[3]; ^[3]; ^[2]; Yang, Cindy ^[2]; MacAskill, Miranda ^[2]; MacKinnon, Stephen Scott ^[2]; ^[4]; ^[5]; Shahani, Vijay ^[2]; ^[5]

Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada; Princess Margaret Cancer Center, University Health Network, Toronto, Ontario M5G 2C4, Canada
Recursion Pharmaceuticals Inc., Toronto, Ontario M5V 2A2, Canada
Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada
Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada; Princess Margaret Cancer Center, University Health Network, Toronto, Ontario M5G 2C4, Canada; Department of Medical Biophysics, University of Toronto, Toronto, Ontario M5S 1A1, Canada
Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada; Department of Pharmacology and Toxicology, University of Toronto, Toronto, Ontario M5S 1A1, Canada

Not provided.

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 2423385

Journal Information:: Journal of Chemical Information and Modeling, Journal Name: Journal of Chemical Information and Modeling Journal Issue: 13 Vol. 63; ISSN 1549-9596

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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