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samplchallenges/SAMPL8: SAMPL8 CB8 "drugs of abuse" challenge inputs

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 14 Sep 2020Publisher:Zenodo
Authors: Mobley, David L.; Amezcum1;

doi: 10.5281/zenodo.4029560

samplchallenges/SAMPL8: SAMPL8 CB8 "drugs of abuse" challenge inputs

Abstract

This archives the final inputs that were available for the SAMPL8 CB8 drugs of abuse challenge. Previous changes included here were: June 9, 2020: Add first info on CB8 "drugs of abuse" challenge from Isaacs. June 16, 2020: Fix cocaine structure, which was incorrectly listed as the ethyl ether rather than the methyl ether. Affects all G7 files. August 21, 2020: Add CB8 submission template file and host-guest instructions (for now only for CB8, other host-guest system information will be updated as it becomes available). Sept. 2, 2020: Add submission instructions. The submissions system is now live at http://sampl-submit.us-west-1.elasticbeanstalk.com/submit/SAMPL8-Isaacs.

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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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