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. 2022 Apr 15;36(4):291–311. doi: 10.1007/s10822-022-00452-7

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© The Author(s) 2022

Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 8 — Chemical structures of the top 10 compounds submitted in Stage 3 follow-ups enumeration submissions. The column and row labels indicate the SID and ranks, respectively. The Molport or Enamine Real identifiers are shown below each 2D molecular representation. Th full rankings can be accessed on the github page of the challenge:

https://github.com/samplchallenges/SAMPL7/tree/master/protein_ligand/Analysis/Analysis-outputs-stage3

under stage3_submission_collection.csv