What's in an `is about' link? Chemical diagrams and the Information Artifact Ontology

TL;DR

This paper examines the challenge of classifying chemical diagrams within the Information Artifact Ontology, proposing a solution that treats diagrams as expressions of diagrammatic languages to better categorize information entities.

Contribution

It introduces a novel approach that considers chemical diagrams as expressions of languages, resolving classification issues related to non-existing entities in the ontology.

Findings

Addresses the conflict between ontology realism and diagrams about non-existing entities.

Proposes a language-based framework for classifying information entities.

Enhances categorization of chemical diagrams in computational chemistry.

Abstract

The Information Artifact Ontology is an ontology in the domain of information entities. Core to the definition of what it is to be an information entity is the claim that an information entity must be `about' something, which is encoded in an axiom expressing that all information entities are about some entity. This axiom comes into conflict with ontological realism, since many information entities seem to be about non-existing entities, such as hypothetical molecules. We discuss this problem in the context of diagrams of molecules, a kind of information entity pervasively used throughout computational chemistry. We then propose a solution that recognizes that information entities such as diagrams are expressions of diagrammatic languages. In so doing, we not only address the problem of classifying diagrams that seem to be about non-existing entities but also allow a more sophisticated categorisation of information entities.