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CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hit-finding

Crossref DOI link: https://doi.org/10.1038/s41570-022-00363-z

Published Online: 2022-02-15

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Ackloo, Suzanne https://orcid.org/0000-0002-9696-1839
Al-awar, Rima

Amaro, Rommie E. https://orcid.org/0000-0002-9275-9553
Arrowsmith, Cheryl H.

Azevedo, Hatylas

Batey, Robert A. https://orcid.org/0000-0001-8808-7646
Bengio, Yoshua https://orcid.org/0000-0002-9322-3515
Betz, Ulrich A. K. https://orcid.org/0000-0002-4499-4313
Bologa, Cristian G. https://orcid.org/0000-0003-2232-4244
Chodera, John D. https://orcid.org/0000-0003-0542-119X
Cornell, Wendy D. https://orcid.org/0000-0002-7339-0201
Dunham, Ian https://orcid.org/0000-0003-2525-5598
Ecker, Gerhard F. https://orcid.org/0000-0003-4209-6883
Edfeldt, Kristina https://orcid.org/0000-0002-0550-1133
Edwards, Aled M. https://orcid.org/0000-0002-4782-6016
Gilson, Michael K. https://orcid.org/0000-0002-3375-1738
Gordijo, Claudia R. https://orcid.org/0000-0001-9054-0913
Hessler, Gerhard

Hillisch, Alexander https://orcid.org/0000-0002-4228-2347
Hogner, Anders https://orcid.org/0000-0003-3823-4534
Irwin, John J. https://orcid.org/0000-0002-1195-6417
Jansen, Johanna M. https://orcid.org/0000-0003-3937-6243
Kuhn, Daniel https://orcid.org/0000-0002-0550-4174
Leach, Andrew R. https://orcid.org/0000-0001-8178-0253
Lee, Alpha A.

Lessel, Uta https://orcid.org/0000-0002-1698-6017
Morgan, Maxwell R. https://orcid.org/0000-0002-4784-6113
Moult, John

Muegge, Ingo https://orcid.org/0000-0003-3294-1852
Oprea, Tudor I. https://orcid.org/0000-0002-6195-6976
Perry, Benjamin G. https://orcid.org/0000-0001-6715-4213
Riley, Patrick https://orcid.org/0000-0003-0797-0272
Rousseaux, Sophie A. L.

Saikatendu, Kumar Singh

Santhakumar, Vijayaratnam https://orcid.org/0000-0002-7001-557X
Schapira, Matthieu https://orcid.org/0000-0002-1047-3309
Scholten, Cora

Todd, Matthew H.

Vedadi, Masoud

Volkamer, Andrea https://orcid.org/0000-0002-3760-580X
Willson, Timothy M.
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Text and Data Mining valid from 2022-02-15

Version of Record valid from 2022-02-15
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Article History

Accepted: 21 January 2022

First Online: 15 February 2022

Competing interests

: M.K.G. has an equity interest in and is a co-founder and scientific adviser of VeraChem LLC. J.J.I. is a co-founder of Blue Dolphin LLC, which undertakes fee-for-service ligand discovery. A. Hillisch is on the board of directors of the Structural Genomics Consortium (SGC) and the scientific advisory board of Cresset. A.A.L. is the chief scientific officer and a shareholder of PostEra Inc. T.I.O. has received honoraria from or consulted for Abbott, AstraZeneca, Chiron, Genentech, Infinity Pharmaceuticals, Merz Pharmaceuticals, Merck Darmstadt, Mitsubishi Tanabe, Novartis, Ono Pharmaceuticals, Pfizer, Roche, Sanofi and Wyeth, and is on the scientific advisory board of ChemDiv and InSilico Medicine. J.D.C. is a current member of the scientific advisory boards for OpenEye Scientific Software, Redesign Science, Interline Therapeutics and Ventus Therapeutics, and holds equity interests in Redesign Science and Interline Therapeutics. B.G.P. is on the board of directors of Evolia Therapeutics S.A. and the scientific advisory board of Spirochem A.G. All remaining authors declare no competing interests.

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