Chemistry Research Data Interest Group (CRDIG) Update Dec. 2016
Recent activities of CRDIG include workshops focusing on chemical structures and terminology, discussions on chemical data standards, upcoming meetings worldwide, and group discussions on aligning chemistry domain efforts with larger research infrastructure profiles like RDA's. The group aims to enhance data communication and management in the field of chemistry.
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Chemistry Research Data Interest Group CRDIG Update Dec 2016 Stuart Chalk, David Martinsen, Leah McEwen, Ian Bruno, Richard Kidd Co-Chairs - CRDIG
Recent Activities RTP workshop - focus on chemical structures and terminology as primary communication hooks across venues and use cases (and disciplines) P8 Two sessions Issues/Pain Points => solutions (RDA and community) Domain glossary => vocabulary (and beyond) Chemical safety & hazard modeling* (CRDIG plus other research groups interested in hazard modeling) Gold Book project (via IUPAC, but informed by RDA sessions)* Compiling chemistry publisher data guidelines * With the help of VoCamp
Chemical Data Standards Formation of an IUPAC Sub-committee on Chemical Data Standards Discussion/Evaluation/Dissemination Molecular Representation Many formats -> single format? JSON? Spectral Standards CIF (text based) JCAMP (text based) AnIML (XML based) Others? General Data Standards?
Upcoming Meetings EBI, UK March - InChI / Open structures workshop ACS San Francisco, April - CRDIG discussion session: chemistry publishers forum on data publishing, managing identifiers for researchers, use cases for chemical identifiers RDA Barcelona, April, CRDIG open session, use cases for chemistry data/information Beilstein Institute: Chemistry Data Management symposium, May IUPAC World Congress, Chemistry Data / Big Data, July InChI User Meeting (cheminformatics and beyond), DC, Aug ACS DC, Aug - symposia on: Open Structures, Data Publishing, Safety information/data exchange as a global concern RDA Toronto: maybe a CRDIG joint session on domain publishing workflows (building on work that some CRDIG members have started on this front, and to connect into recent efforts in RDA)
Discipline Group Discussion? How does RDA see their more general work (such as vocabulary modeling, or publishing workflows, or data management workshops) supporting domains and researchers in different sectors? How might our (chemistry) domain efforts be brought into the larger family of infrastructure profiles considered by RDA? e.g. such as for machine processable identifiers
