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feat: Making the InChI FAIR and sustainable while moving to inorganics paper#38

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feat: Making the InChI FAIR and sustainable while moving to inorganics paper#38
NRayya wants to merge 1 commit intolamalab-org:mainfrom
NRayya:main

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@NRayya NRayya commented Jun 8, 2025

Summary by Sourcery

Add initial draft of the 'InChI FAIR and sustainable inorganics' manuscript and enrich the project bibliography with five new relevant references.

Enhancements:

  • Create a new Quarto manuscript file at papers/inchi.qmd for the InChI FAIR inorganics paper

Documentation:

  • Add references for Blanke et al. 2025, Engel & Gasteiger 2018, Goodman et al. 2021, Blekos et al. 2023, and Warr 2015 to references.bib

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sourcery-ai bot commented Jun 8, 2025

Reviewer's Guide

This PR augments the project’s bibliography with key foundational and recent works—including the new Blanke et al. 2025 InChI FAIR article—and scaffolds a dedicated Quarto document for discussing FAIR and sustainable InChI support in inorganics.

File-Level Changes

Change Details Files
Added new bibliographic entries covering the InChI FAIR paper and related foundational works
  • Add Blanke et al. 2025 InChI FAIR and sustainable inorganics paper
  • Add Engel & Gasteiger 2018 chemoinformatics book
  • Add Goodman et al. 2021 InChI reliability article
  • Add Blekos et al. 2023 nanomaterial representations paper
  • Add Warr 2015 InChI overview article
references.bib
Introduced a new Quarto markdown file to outline the InChI FAIR & sustainability discussion
  • Create initial inchi.qmd file under papers/
  • Setup document structure for InChI FAIR discussion
papers/inchi.qmd

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Hey @NRayya - I've reviewed your changes and they look great!

Here's what I looked at during the review
  • 🟡 General issues: 2 issues found
  • 🟢 Security: all looks good
  • 🟢 Testing: all looks good
  • 🟢 Documentation: all looks good

Sourcery is free for open source - if you like our reviews please consider sharing them ✨
Help me be more useful! Please click 👍 or 👎 on each comment and I'll use the feedback to improve your reviews.

Comment thread references.bib
Comment on lines +1062 to +1064
year={2025},
publisher={Royal Society of Chemistry}
}
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suggestion: Drop 'publisher' field from @Article entries

The 'publisher' field is unnecessary for journal articles in BibTeX and should be omitted for correctness and clarity.

Suggested change
year={2025},
publisher={Royal Society of Chemistry}
}
year={2025}
}

Comment thread references.bib
Comment on lines +1066 to +1071
@book{engel2018chemoinformatics,
title={Chemoinformatics: basic concepts and methods},
author={Engel, Thomas and Gasteiger, Johann},
year={2018},
publisher={John Wiley \& Sons}
}
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suggestion: Include ISBN for book entries

ISBNs ensure unique identification and better compatibility with bibliography tools.

Suggested change
@book{engel2018chemoinformatics,
title={Chemoinformatics: basic concepts and methods},
author={Engel, Thomas and Gasteiger, Johann},
year={2018},
publisher={John Wiley \& Sons}
}
@book{engel2018chemoinformatics,
title={Chemoinformatics: basic concepts and methods},
author={Engel, Thomas and Gasteiger, Johann},
year={2018},
publisher={John Wiley \& Sons},
isbn={9783527331093}
}

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