[PRE REVIEW]: OpenFEPOPS: A Python implementation of the FEPOPS molecular similarity technique

[editorialbot]

Submitting author: !--author-handle-->@stevenshave<!--end-author-handle-- (Steven Shave) Repository: https://github.com/JustinYKC/FEPOPS Branch with paper.md (empty if default branch): Version: 1.4.0 Editor: !--editor-->@richardjgowers<!--end-editor-- Reviewers: @hannahbaumann, @exs-cbouy Managing EiC: Kevin M. Moerman

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Thanks for submitting your paper to JOSS @stevenshave. Currently, there isn't a JOSS editor assigned to your paper.

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[editorialbot]

Software report:

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gitinspector failed to run statistical information for the repository

[editorialbot]

Wordcount for paper.md is 835

[editorialbot]

Reference check summary (note 'MISSING' DOIs are suggestions that need verification):

OK DOIs

- None

MISSING DOIs

- 10.1016/j.jmgm.2007.02.005 may be a valid DOI for title: Flexible 3D pharmacophores as descriptors of dynamic biological space
- 10.1021/jm049654z may be a valid DOI for title: A 3D similarity method for scaffold hopping from known drugs or natural ligands to new chemotypes
- 10.1002/9783527665143.ch10 may be a valid DOI for title: Feature Point Pharmacophores (FEPOPS)
- 10.1016/j.drudis.2011.02.011 may be a valid DOI for title: State-of-the-art in ligand-based virtual screening
- 10.1111/j.1476-5381.2010.01127.x may be a valid DOI for title: Principles of early drug discovery
- 10.1186/s13321-020-00444-5 may be a valid DOI for title: QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction
- 10.1021/jm300687e may be a valid DOI for title: Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking
- 10.1186/1758-2946-4-27 may be a valid DOI for title: USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
- 10.1016/j.eswa.2008.01.039 may be a valid DOI for title: A simple and fast algorithm for K-medoids clustering

INVALID DOIs

- None

[editorialbot]

:point_right::page_facing_up: Download article proof :page_facing_up: View article proof on GitHub :page_facing_up: :point_left:

[Kevin-Mattheus-Moerman]

@editorialbot invite @richardjgowers as editor

[editorialbot]

Invitation to edit this submission sent!

[stevenshave]

Hello! I will be making an update to the publication to include benchmarking results, address the missing DOIs and fix API docs imminently. Many thanks, Steve

[richardjgowers]

@editorialbot assign @richardjgowers as editor

[editorialbot]

Assigned! @richardjgowers is now the editor

[stevenshave]

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[stevenshave]

@editorialbot generate pdf

[editorialbot]

:point_right::page_facing_up: Download article proof :page_facing_up: View article proof on GitHub :page_facing_up: :point_left:

[stevenshave]

Hi @richardjgowers, I have now made updates to the repo including API docs, userguide and added benchmark results to the paper. Suggested DOIs have been added to my paper.bib, but some referenced articles have no valid DOI. Please let me know the next steps. Many thanks, Steve

[richardjgowers]

@stevenshave thanks. Th process going forwards will be I'll be looking for some reviewers and invite them here, then a new github issue for the review process will be created.

[richardjgowers]

@cbouy would you be interested in review this?

[richardjgowers]

@editorialbot add @hannahbaumann as reviewer

[editorialbot]

@hannahbaumann added to the reviewers list!

[cbouy]

@richardjgowers Sure, I'll use my other account handle for this if possible: @exs-cbouy

[richardjgowers]

@editorialbot add @exs-cbouy as reviewer

[editorialbot]

@exs-cbouy added to the reviewers list!

[richardjgowers]

@editorialbot start review

[editorialbot]

OK, I've started the review over in https://github.com/openjournals/joss-reviews/issues/5763.