FAIRChemistry _ Webinar 03_"What is a chemical? User Perspectives on Digital Machine-Readable Depictions"
Creators: name: Chalk, Stuart
name: Bruno, Ian
name: McEwen, Leah
name: Mustafa, Fatima
Publisher: name: Zenodo
Year: 2022
Subjects: Webinar, FAIR, Cheminformatics, Chemical Data

description: This is the third webinar of the “What is a Chemical webinar series 2022” organized by the IUPAC WorldFAIR Chemistry project on December 08, 2022. In this webinar, guest speakers were hosted to deliver flash presentation. The talks covered various digital chemical depictions. They were followed by a panel discussion. The agenda is <strong>attached</strong>. <strong>Moderator:</strong> <strong>Ian Bruno, </strong>IUPAC CPCDS and CCDC <strong>Speakers and Presentations:</strong> 1 Greg Landrum ETH Zürich, Switzerland What is <strong>InChI</strong>? A user’s perspective on identifiers and representations glandrum@ethz.ch 2 Dana Vanderwall IUPAC Subcommittee on HELM, USA <strong>HELM</strong>: Hierarchical Editing Language for Macromolecules devanderwall@gmail.com 3 Jonathan Goodman University of Cambridge, UK What is a chemical? <strong>Graphical Representation</strong> jmg11@cam.ac.uk 4 Michelle Rogers Cargill, USA <strong>Systematic Nomenclature</strong> michelle.m.rogers@gmail.com 5 Vincent Scalfani The University of Alabama, USA What are <strong>SMILES</strong>? vfscalfani@ua.edu <strong>Flyer:</strong> Available here <strong>Recording:</strong> Available here <strong>Description: </strong> Globally active chemistry and related sciences research will be supported by increased reporting of machine-readable chemical data. Following the conversation started in the previous “What is the chemical? webinars, in this webinar we will focus on some of the existing notations for single molecular entities: InChI, HELM, SMILES, graphical representation, and systematic nomenclature. Our guest speakers will discuss the user/developer perspective of working with these tools, challenges, expansion to cover chemistry needs, and how could they be complementary to each other to meet chemistry data and cheminformatics needs? This webinar was organized by the *IUPAC **WorldFAIR-Chemistry project, an EU funded program, aiming to align standards development and implementation with the FAIR data principles. This will facilitate development of guidelines, tools and validation services that support scientists to share and store chemical data in a FAIR manner and support the ability to compile and interpret data across scientific disciplines. The webinar was hosted by the American Chemical Society- Division of Chemical Information (CINF) *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. **WorldFAIR “Global cooperation on FAIR data policy and practice” is funded by the EC HORIZON-WIDERA-2021-ERA-01-41 Coordination and Support Action under Grant Agreement No. 101058393. <strong>Take out Points and Notes:</strong> Find the shared notes <strong>attached</strong> <strong>Polls and Registration Statistics:</strong> Available<strong> here </strong> <strong>Other Webinars in the Series:</strong> Webinar 01: "What is a chemical? Handling Chemical Data Across Disciplines" Webinar 02: “What is a chemical? Applying Chemical Data to Industrial Challenges” Webinar 04: “What is a chemical? Innovations in Chemical Descriptions"