Subcommittee on Cheminformatics Data Standards


The Subcommittee on Cheminformatics Data Standards (SCDS) communicates within IUPAC the cheminformatics data standards needs of the chemical community with the objective of prioritizing and efficiently meeting those needs through the collaborative efforts of relevant IUPAC Divisions, IUPAC Committees, and external scientific organizations, such as NIST, CODATA, and the Research Data Alliance (RDA). SCDS widely promotes this work both internally within IUPAC and externally to the global chemical community through symposia, workshops, presentations at relevant conferences, and through articles in Chemistry International (CI) and other appropriate publications. To ensure broad communication, SCDS makes its reports available to all IUPAC Divisions and Committees as well as to its external collaborative partners.

SCDS supersedes Subcommittee on Spectroscopic Data Standards which was the successor to JCAMP-DX, the Joint Committee on Atomic and Molecular Physical data and the group Data eXchange. SSDS was terminated as a separate committee in July 2016 and the standards for which it was responsible are now under SCDS.

*LINK to parent Committee on Publications and Cheminformatics Data Standards, CPCDS


25-26 August 2019 – Chemical Nomenclature & Representation: Past, Present & Future

23-24 August 2019 – InChI Symposium

29-30 Mar 2019 – FAIR Publishing Guidelines for Spectral Data and Chemical Structures

5-8 Nov 2018 – part of SciDataCon 2018, Data interoperability in chemistry, biology, and crystallography: Enabling multidisciplinary solutions to societal challenges

16-17 July 2018 – Supporting FAIR Exchange of Chemical Data Standards Development

16-18 August 2017 – Chemical Identifier

13 July 2017 – Research Data, Big Data, and Chemistry, a Special Symposium part of the IUPAC Congress in Sao Paulo, Brazil

20-21 March 2017 – Expanding IUPAC Standards for Chemical Information – Industry Applications & Stakeholder Perspectives

14-15 July 2016 – Prioritizing Digital Data Challenges in Chemistry

& misc

DIGChem, the Data Interest Group/Chemistry

Analytical Information Markup Language

Meeting Minutes

Meeting, 6 March 2017 (Web Conference) – PDF

Meeting, 9 February 2017 (Web Conference) – PDF

Meeting, 20 December 2016 (Web conference) – PDF

Inaugural Meeting, 25 October 2016 (Web conference) – PDF

Activity Reports

Published in Chem Int April 2017 (pp. 6-9), “IUPAC Facilitating Chemistry Data Exchange in the Digital Era”, by Leah McEwen;

Chem Int July 2017 – a Special issue on Research Data, Big Data, and Chemistry prepared and released in advance of the special Symposium planned for Sao Paulo.