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Charles Tapley Hoyt

@cthoyt.scholar.social.ap.brid.gy

Bio/cheminformatician, software developer, open scientist. 🇺🇸 living in Bonn 🇩🇪🇪🇺 (he/him) Current projects: @NFDI4Chem and @dalia 🌉 bridged from ⁂ scholar.social/@cthoyt, follow @ap.brid.gy to interact

Posts Replies Media

Charles Tapley Hoyt @cthoyt.scholar.social.ap.brid.gy · 04/09/2026

blogged today about ChEBI, data properties in OWL ontologies, computational chemistry, atomic numbers, and basis sets cthoyt.com/2026/09/04/chebi-atomic-… all part of @NFDI4Chem #obo #owl #chebi #obofoundry #nfdi #nfdi4chem

A diagram showing how ontology inference could be used to connect molecules and applicable basis sets for computational chemistry experiments

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Charles Tapley Hoyt @cthoyt.scholar.social.ap.brid.gy · 10/08/2026

@jerven says there's a link, but there is no link (GitHub is also incorrectly capitalized ;))

A screenshot of text from https://osf.io/preprints/biohackrxiv/jazsb_v1 highlighting a part of the text where there is a missing link

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Charles Tapley Hoyt @cthoyt.scholar.social.ap.brid.gy · 29/07/2026

my team at RWTH Aachen is bringing informatics approaches tried and true in medicinal chemistry to bioinorganic catalysis ➡️ here's a ontology-augmented reaction network for polylactic acid (PLA) which is linked to literature-derived catalytic experimental […] [Original post on scholar.social]

a reaction network for polylactic acid (PLA)

A depiction of the molecule [FeCl2 (TMG5NMe2 asme)], published by Lisa Burkart et al. (2023; https://pubmed.ncbi.nlm.nih.gov/36577118/)

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Charles Tapley Hoyt @cthoyt.scholar.social.ap.brid.gy · 08/10/2025

after much ado, I have finished writing about bridging the @nfdi4culture and @NFDI4Chem@nfdi.socialknowledge graphs 📖 cthoyt.com/2025/10/07/bridging-cult… the demo was to link experiments in Chemotion electronic lab notebooks […] [Original post on scholar.social]

A schematic diagram of the boundaries between data resources that had to be federated to connect experiments in the Chemotion electronic lab notebook (ELN) that annotate the type of instrument used to gather data (e.g., microscope) with depictions of that instrument in paintings

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Charles Tapley Hoyt @cthoyt.scholar.social.ap.brid.gy · 03/10/2025

have you ever annotated a TypedDict onto the **kwargs fuction and want Sphinx to automatically add it to the function's docstring? class GreetingKwargs(TypedDict): name: Annotated[str, Doc("the name of the person to greet")] def greet(**kwargs […] [Original post on scholar.social]

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Charles Tapley Hoyt @cthoyt.scholar.social.ap.brid.gy · 18/09/2025

Like most times I said "I could hack that in an evening", I am now a week into my journey to bridge the @nfdi4culture and @NFDI4Chem knowledge graphs, inspired by Torsten Schrade's excellent keynote lecture at the NFDI4Chem 6.0 consortium meeting It required […] [Original post on scholar.social]

A screenshot of an open issue on GitHub with the pull requests I made along the way to this toot

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