Published October 27, 2022 | Version v1
Presentation Open

FAIRChemistry _ Webinar 02 _"What is a chemical? Applying Chemical Data to Industry Challenges"

  • 1. University of North Florida: Jacksonville, FL, US
  • 2. The Cambridge Crystallographic Data Centre (CCDC)
  • 3. Cornell University, NY, US
  • 4. IUPAC

Description

This is the second webinar of the “What is a Chemical webinar series 2022” organized by the IUPAC WorldFAIR Chemistry project on October 13, 2022. This series is composed of three webinars in total. In this webinar, guest speakers were hosted to deliver flash presentation. The talks covered various applied areas where chemical data is handled. They were followed by a panel discussion. The agenda is attached.

Moderator:

  • Ian Bruno, IUPAC CPCDS and CCDC

Speakers and Presentations:

1

Lutz Weber

OntoChem, Halle, Germany

Using Large Scale Data & Chemical Ontologies to Predict Any Molecular Property

2

Teodoro Laino

IBM Research Europe, Switzerland

From a Combination of Chemical Synthesis and Automation to Enzymatic Design: the Many Opportunities of Language Models in Chemistry

3

Yannick Djoumbou Feunang

Corteva, Indiana, US

Applying Chemical Data to Crop Protection Discovery

4

Nelson Vinueza Benitez

University of North Carolina: NC, US

Colorants: Dyes, Pigments and Databases

5

Nick Lynch

Curlew Research: Woburn Sands, Bucks, GB

FAIR Data in Life Sciences – Chemistry Focus

6

Gunther Schadow

Pragmatic Data, Indian, US

Pharmaceutical-Regulatory Perspective

Flyer:

Recording:

  • The recording of the full webinar is available at the IUPAC YouTube Channel 

Description: 

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. IUPAC is leading the chemistry WorldFAIR project-WP3, 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 this webinar series, we aim to:

1.     Understand the chemical substances notations within in various applied fields such as drug discovery, dyes, agri-chem, and broader Al/ML contexts

2.     Explore the data bases that are used in these applied areas, and to understand the current ways of communication and accessing data by other groups.

3.     Investigate the various digital and machine-readable depiction ways or notations of chemical substances, reactions, and datasets.

Overall, the webinar series will highlight the status of working with chemical notations, development of digital tools to transform chemical notations into digital entities and ways to implement FAIR data principles across the chemical enterprise.

Take out Points and Notes:

  • Find the shared notes attached

Polls and Registration Statistics:

  • Find the poll results attached

Other Webinars in the Series:

Files

FAIRChemistry_Webinar02_10132022_Shared Notes.pdf

Files (850.1 kB)

Additional details

Funding

European Commission
WorldFAIR – Global cooperation on FAIR data policy and practice 101058393