A major activity of the IUPAC divisions is the development and publication of recommended terms in chemistry, through Pure and Applied Chemistry articles.  Through the years this process has supported chemistry by formally defining concepts, creating a common language of chemistry - for humans.  However, this rich knowledge base is currently not accessible to machines.<br/><br/>The digitization of recommended terms is therefore needed in order to represent chemical concepts for the semantic annotation of data.  Recently, a new IUPAC project has been approved to move toward this goal.  This project is the second phase of a multiphase project that started with the reinvention of the IUPAC Gold Book (https://goldbook.iupac.org).  The IUPAC Gold Book (also called the Compendium of Chemical Terminology) is an aggregation of a small selection of terms (~7000) from IUPAC recommendations originally published in 1997 (hardback) and online since 2006. The new version of the Gold Book has made the terms available to machines via a REST API.<br/><br/>This talk will focus on the new project (Phase 2) to move the term definitions into a more formal ontological representation of knowledge in chemistry.  A nominal ontological representation of recommended terms in chemistry will be shown and the process of migrating existing terms into this format will be discussed. Additionally, a prototype online system to allow divisions to manage this process will be presented.

Reimagining IUPAC recommendations as a chemical ontology for semantic chemistry

2019 Fall National Meeting

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.