{"identifier":"0000047","name":"Ontologies4Chem 2026","description":"The [5<sup>th</sup> Ontologies4Chem Workshop](https://nfdi4chem.de/event/5th-ontologies4chem-workshop/) took place between November 2-4<sup>th</sup>, 2026 in Limburg an der Lahn at the Dom Limburg Hotel. This collection covers records for ontologies, controlled vocabularies, and other relevant semantic spaces that were presented directly, used by work that was presented, or otherwise discussed at the workshop.\n\nThe contributors list reflects the union of the presenters of the talks, maintainers of the ontologies/resources listed who were in attendance, and other contributions to the construction of the conference/list. Note: this collection isn't meant to be a complete summary of the Ontologies4Chem Workshop, but rather it's meant to contextualize the discussion topics from different parts of the workshop based on the resources they were about.","resources":[{"prefix":"asmo","comment":"Mentioned during the computational chemistry hackathon as a potential ontology for reuse or extension","tags":["computational-chemistry"]},{"prefix":"bioregistry","comment":"The Semantic Farm/Bioregistry was a recurring topic of conversation on the indexing of ontologies such that they are easier to find and reuse."},{"prefix":"chebi","comment":"ChEBI was the primary topic of the morning session of Day 3 entitled *Chemical Entities – Classification and Design Patterns*. Noel O'Boyle presented general updates, Simon Flügel presented [Rule-based ChEBI extension](https://drive.google.com/file/d/1JUms-SGC8qUJhCNy9eosOPSIq3jubrhU/view?usp=drive_link), Charlotte Tumescheit presented [Explainability of chemical language models](https://drive.google.com/file/d/1_-lO7eK3znepyWPvqYfI75yMTB1vblZM/view?usp=sharing), and Miranda Carlsson presented [ChEBI-N – An Updated Ontology-Based Chemical Enrichment Analysis Tool](https://drive.google.com/open?id=1K-XuLOGsuAoxdD6tiOWDXCESuVSa1_bB).","tags":["presented"]},{"prefix":"cheminf","comment":"CHEMINF was mentioned in several contexs, including in the computational chemistry modeling hackathon and in Philip Strömert's presentation [Design Patterns for Chemical Composition of Substances and Materials](https://docs.google.com/presentation/d/1ER8eNIuptmyi_QM4S6fZak0TjA-vw3q6imIJCfQguks/edit?slide=id.p#slide=id.p) in the context of ChemDCAT-AP.","tags":["computational-chemistry"]},{"prefix":"chmo","comment":"Noura Rayya presented [NFDI4Chem’s Ontology Curation Status Updates: CHMO, RXNO & MOP](https://docs.google.com/presentation/d/1zyXHNBURO1mjZqVhUGzTqClNIttspihEEnSKVZ6vG50/edit?slide=id.h6509b6cc4dfea78a_0_284) on Day 1 of the workshop which outlined the maturing ODK-ization of CHMO.","tags":["presented"]},{"prefix":"climoo.picco","tags":["presented"]},{"prefix":"climoo.piccomela","tags":["presented"]},{"prefix":"climoo.plastico","comment":"PlasticO was presented by Giorgio A. Ubbiali on Day 2 as part of a suite of ontologies describing plastics, their lifecycles, debris, their environment and ecological impacts, and effects on climate change ([slides](https://docs.google.com/presentation/d/1uvbEEk8nAXnagbRCkWpda4M5VizHLf2a/edit?usp=sharing&ouid=102267574585791126574&rtpof=true&sd=true)).","tags":["presented"]},{"prefix":"climoo.sdc2","tags":["presented"]},{"prefix":"emmo","comment":"Mentioned during the computational chemistry hackathon as a potential ontology for reuse or extension. EMMO is an upper-level ontology framework often used in the natural sciences and engineering (but not so much in the life sciences, which typically use BFO)","tags":["computational-chemistry"]},{"prefix":"goldbook","comment":"Leah McEwen and Stuart Chalk hosted a hackathon for the serialization of the IUPAC Goldbook to SKOS","tags":["presented"]},{"prefix":"mlips","comment":"Mentioned during the computational chemistry hackathon as a potential ontology for reuse or extension","tags":["computational-chemistry"]},{"prefix":"molsim","comment":"Fathoni Musyaffa presented [MOLSIM: an OBO-aligned ontology for describing molecular simulation data](https://docs.google.com/presentation/d/1GxCXMAeNbpo3LsTUyuWIACm1LpBj9ckx2vdKkJh4NO8/edit?slide=id.p1#slide=id.p1) on Day 1","tags":["computational-chemistry"]},{"prefix":"mop","comment":"Noura Rayya presented [NFDI4Chem’s Ontology Curation Status Updates: CHMO, RXNO & MOP](https://docs.google.com/presentation/d/1zyXHNBURO1mjZqVhUGzTqClNIttspihEEnSKVZ6vG50/edit?slide=id.h6509b6cc4dfea78a_0_284) on Day 1 of the workshop which outlined the plan for the ODK-ization of MOP.","tags":["presented"]},{"prefix":"ontmm","comment":"Darren Rhodes has been constructing the Molecular Modelling Project Ontology from a chemist's perspective and joined the workshop to share the competency questions that were encoded in this application ontology.","tags":["computational-chemistry"]},{"prefix":"ontoiochem","comment":"Presented by Gabi Dias during Day 1 of the computational chemistry ontology hackathon.","tags":["computational-chemistry","presented"]},{"prefix":"pmdco","comment":"Philipp von Hartrott presented *Description of compositions of metallic materials using PMDco* on Day 3.","tags":["presented"]},{"prefix":"psdi.voc","comment":"Samantha Pearman-Kanza and Aileen Day presented the Physical Science Data Infrastructure (PSDI), an organization in the UK with similar goals as the NFDI, on Day 1. Their presentation included the metadata strategy and controlled vocabularies under development ([slides](https://doi.org/10.5281/zenodo.23921526)).","tags":["presented"]},{"prefix":"pubchem.vocabulary","comment":"Evan Bolton presented _PubChem & ChemRef_ on Day 3","tags":["presented"]},{"prefix":"qudt","tags":["computational-chemistry"]},{"prefix":"rhea","comment":"Jerven Bolleman and Alex Sommer-Behr lead the discussion following Day 2's long talk on Alexei Lapkin and Laura Fadler's high level *context* ontology proposal, in which we discussed the needs for modeling reactions, experiments, instruments, and related concepts. Rhea was a natural suggestion from Jerven's work at SIB as an existing resource to take inspiration from.","tags":["presented"]},{"prefix":"rxno","comment":"Noura Rayya presented [NFDI4Chem’s Ontology Curation Status Updates: CHMO, RXNO & MOP](https://docs.google.com/presentation/d/1zyXHNBURO1mjZqVhUGzTqClNIttspihEEnSKVZ6vG50/edit?slide=id.h6509b6cc4dfea78a_0_284) on Day 1 of the workshop which outlined the plan for the ODK-ization of RXNO.","tags":["presented"]},{"prefix":"sre.cpo","comment":"Laura Fadler and Alexei Lapkin presented [A high-level ‘Context’ ontology - providing more context for reactions](https://drive.google.com/file/d/1ntDJi81oMZb7uMErb5sweXuI22Wl13Hb/view?usp=sharing) which showcased two ontologies - the Chemical Process Ontology (CPO) was the domain-specific application of their high-level ontology (HLO).","tags":["presented"]},{"prefix":"sre.hlo","comment":"Laura Fadler and Alexei Lapkin presented [A high-level ‘Context’ ontology - providing more context for reactions](https://drive.google.com/file/d/1ntDJi81oMZb7uMErb5sweXuI22Wl13Hb/view?usp=sharing) which showcased two ontologies - the Chemical Process Ontology (CPO) was the domain-specific application of their high-level ontology (HLO).","tags":["presented"]},{"prefix":"sssom","comment":"SSSOM was presented by Charles Tapley Hoyt on Day 1 ([slides](https://zenodo.org/records/23892214)).","tags":["presented"]},{"prefix":"tib.mdo","comment":"Mentioned during the computational chemistry hackathon as a potential ontology for reuse or extension","tags":["computational-chemistry"]},{"prefix":"voc4cat","comment":"David Linke presented *Terms are the easy part: Editorial rules, tooling and review in Voc4Cat* on Day 1.","tags":["presented"]},{"prefix":"worldavatar.compchem","comment":"Mentioned during the computational chemistry hackathon as a potential ontology for reuse or extension","tags":["computational-chemistry"]}],"contributors":[{"name":"Shashank S. Harivyasi","orcid":"0000-0002-2174-5226","github":"harivyasi"},{"name":"Evan E Bolton","orcid":"0000-0002-5959-6190","email":"bolton@ncbi.nlm.nih.gov","github":"boltonee"},{"name":"Mario Wolter","orcid":"0000-0001-6948-6801","github":"MarioWolter"},{"name":"Aileen Day","orcid":"0000-0003-2397-1996","github":"a-e-day"},{"name":"Laura Fadler","orcid":"0009-0003-3065-7812","github":"laurafadler"},{"name":"Philipp von Hartrott","orcid":"0000-0003-4971-3645","github":"webhart"},{"name":" Giorgio Ubbiali","orcid":"0000-0001-7872-1770","github":"gioUbbiali"},{"name":"Robin Stöhrmann","orcid":"0009-0003-3662-0906","github":"CodoRob"},{"name":"Fathoni A. Musyaffa","orcid":"0000-0003-4846-8051","email":"f.musyaffa@fz-juelich.de","github":"fathoni"},{"name":"Darren Rhodes","orcid":"0009-0008-1206-7620","email":"darren.rhodes@gmail.com","github":"Darren01"},{"name":" Hendrik Borgelt","orcid":"0000-0001-5886-7860","email":"hendrik.borgelt@tu-dortmund.de","github":"HendrikBorgelt"},{"name":"Noura Rayya","orcid":"0009-0001-5998-5030","github":"NRayya"},{"name":"Egon Willighagen","orcid":"0000-0001-7542-0286","email":"egon.willighagen@maastrichtuniversity.nl","github":"egonw"},{"name":"Noel M. O'Boyle","orcid":"0000-0003-4879-2003","github":"baoilleach"},{"name":"Jerven Bolleman","orcid":"0000-0002-7449-1266","email":"jerven.bolleman@isb-sib.ch","github":"JervenBolleman"},{"name":"Alan Bridge","orcid":"0000-0003-2148-9135","email":"alan.bridge@sib.swiss","github":"alanbridge"},{"name":"Alexander Behr","orcid":"0000-0003-4620-8248","email":"alexander.behr@tu-dortmund.de","github":"AleSteB"},{"name":" Philip Strömert","orcid":"0000-0002-1595-3213","email":"philip.stroemert@tib.eu","github":"StroemPhi"},{"name":"Jerven Bolleman","orcid":"0000-0002-7449-1266","email":"jerven.bolleman@isb-sib.ch","github":"JervenBolleman"},{"name":"Carles Bo","orcid":"0000-0001-9581-2922","email":"cbo@iciq.cat","github":"carlesbo"},{"name":"Leah McEwen","orcid":"0000-0003-2968-1674","github":"LeahRaeMcEwen"},{"name":"David Linke","orcid":"0000-0002-5898-1820","email":"david.linke@catalysis.de","github":"dalito"},{"name":"Carsten Kettner","orcid":"0000-0002-8697-6842","github":"Peacock68"},{"name":"Gabriela Dias-da-Silva","orcid":"0000-0003-3763-1917","github":"gabisdias"}],"maintainers":[{"name":"Charles Tapley Hoyt","orcid":"0000-0003-4423-4370","email":"cthoyt@gmail.com","github":"cthoyt"}],"organizations":[{"ror":"05jdrrw50","wikidata":"Q4881267","name":"Beilstein Institute"},{"wikidata":"Q142068862","name":"PSDI"},{"ror":"05wwzbv21","wikidata":"Q96678459","name":"NFDI4Chem"},{"ror":"01k9z4a50","wikidata":"Q98380342","name":"NFDI4Cat"}],"tags":[{"code":"presented","name":"presented","description":"An ontology that was presented at the conference"},{"code":"computational-chemistry","name":"computational chemistry","description":"An ontology that was examined during the computational chemistry ontology hackathon"}]}