Note: Description Chemical substances touch on all areas of laboratory science and chemistry underlies many critical worldwide issues, including climate, health, food availability and sustainable development. Increased reporting of machine-readable chemical data will support active research in chemistry and related sciences worldwide, and will be essential to the development of the interdisciplinary science critical to address the UN Sustainable Development Goals and UNESCO’s priorities around Open Science. IUPAC is the world authority on chemical nomenclature, terminology, and standardized methods of measurement, and is engaging in a concerted effort through collaboration with the broader chemistry and data science communities to translate a range of assets and activities into the digital domain. Aligning standards development and implementation with the FAIR data principles will facilitate development of guidelines, tools and validation services that support scientists to share and store data in a FAIR manner and support the ability to compile and interpret data across scientific disciplines. Three tasks are proposed: Task 1. Chemistry Landscape Mapping This task will involve key stakeholder groups to map the current landscape, including: ● detailed needs/gap analysis for chemistry data/metadata standards, synthesizing from outcomes of previous workshops, with particular emphasis on identified pain points for sharing and reusing chemical data in machine-enabled ways; ● mechanisms for improving data sharing of chemical structures and characterization data, considering the needs of different sectors, including business, government, academia, publishing, open source, AI/ML as well as parallel efforts/needs in related disciplines and broader data initiatives; ● best practices and tools for adoption of chemistry data principles and standards to inform local policy for institutions, repositories, publishers and others managing corpi of chemistry research data; ● evaluation strategies for assessing quality accuracy of metadata, testing interoperability, examining efficacy of adoption mechanisms, and other facets of FAIRness; including recommendations for applying available FAIR assessment tools to chemical data resources. Task 2. Chemistry Standards Implementation This task will initiate and coordinate with relevant metadata standards projects and community tool building efforts to address critical gaps in implementation, including: ● specification of task-based utility services for IUPAC standards to address common data management needs across chemistry and other disciplines, including: chemical structure/representation validation/resolution; FAIR data management of spectroscopic and other characterization data; and machine interpretable authoritative periodic table data; ● collaboration venue for open source development, including prototype development with expert contributors and a mentorship program for young professional scientists. Task 3. Stakeholder Pilots The task will pilot services and guidelines with community stakeholders and domain initiatives, including: ● software developers (e.g., instruments, toolkits, ELNs), data/information dissemination and curation (e.g., repositories, publishers), and research/generation/reuse of data (e.g., pioneer research groups, data intensive research centers, institutional research data support services); ● targeted workshops with early adopters and neighboring disciplines to develop supporting materials; ● community sharing approach for outreach education support (e.g., Open Educational Resources).
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