Towards a Pattern-Based Ontology for Chemical Laboratory Procedures

There is an increasing expectation in the academic sector for chemistry researchers to conduct risk assessment during experimental planning. However, information concerning laboratory scale chemical reactivity hazards can be difficult to parse despite ongoing efforts to compile from reported incidents. Laboratory procedures do not always directly flag possible incompatibilities among constituents or other process factors. In this paper, we present a pattern-based ontology for capturing multiple factors involved in laboratory procedures, including chemical properties, states, conditions, actions, and associated hazard classifications.