Subcommittee on Cheminformatics Data Standards

Aims

The Subcommittee on Cheminformatics Data Standards (SCDS) coordinates and leads the digital dissemination of IUPAC cheminformatics data standards. SCDS works collaboratively with relevant IUPAC Divisions, IUPAC Committees, publishers, external scientific organizations, and the chemistry community to manage source reference material for IUPAC outputs related to cheminformatics and data standards. Such outputs may include cheminformatics related theory, policy around digital data/metadata exchange, standards, recommendations, validation data, and community engagement. SCDS maintains a vision for the dissemination of IUPAC cheminformatics standards and works closely with contributors and the community to share and maintain this information.

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

Workshops

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

IUPAC JCAMP
Analytical Information Markup Language
ThermoML

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; https://doi.org/10.1515/ci-2017-0205

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.