Chemistry

The WP3 (FAIR Chemistry) aims to align chemistry data standards with the FAIR data principles through:

– Development of guidelines, tools and validation services that enable scientists to share and store data in a FAIR manner;
– Addressing gaps in standards that currently restrain chemistry in both academic and industrial areas, in particular taking advantage of developments in AI/ML;
– Engaging critical stakeholders in the adoption of standards and best practices to significantly increase the amount of chemical data available for all scientific disciplines.

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.

Partner

Work Package Leads

Leah Rae McEwen,
Cornell University

Chemistry Featured Outputs

IUPAC FAIR Chemistry CookbooK

The IUPAC FAIR Chemistry Cookbook sampler – a resource to support the broader community in using standards to implement the FAIR data principles for chemical data – has been released.
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IUPAC FAIR Chemistry Protocol Services

A new service prototype for supporting standard programmatic chemical data exchange and validation is also now available through the IUPAC FAIR Chemistry Protocol Services project.
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Digital recommendations for Chemistry FAIR data policy and practice (D3.1)

A review of some of the critical and persistent issues around documentation of chemical information. It also considers documentation requirements to achieve FAIR sharing of chemistry data in ways that are Reliable, Interpretable, Processable, and Exchangeable (RIPE).
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