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Paper · arXiv

A Task-Centric Ontology and Deterministic Domain Rules as a Verifiable Core for AI-Assisted Chemistry Problem Solving

Large language models can interpret natural-language chemistry questions, but their internal reasoning is difficult to inspect, constrain, and validate. This paper presents ChemOntoRule, a proof-of-concept symbolic core for AI-assisted school-level chemistry problem solving. The central design choice is task-centric ontology engineering: the ontology is constructed around the concepts, properties, relations, and executable procedures required by a defined collection of chemistry problems, rather than as a universal representation of chemistry. The implemented artifact combines a lightweight ontology serialized in JSON and RDF/Turtle with deterministic Python rules for electronic structure...

AuthorsIbrokhimsho Abduchaborov
Primary categorycs.AI
Published12 July 2026
Last updated at source12 July 2026
cs.AI
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