Open Science in Chemistry – The Past and the Next 20 Years – with Egon Willighagen – Jülich Open Science Speaker Series (JOSSS)
This lecture by Egon Willighagen (Maastricht University) is intended for all those interested in how Open Science is changing scientific practice in discipline-specific ways, and will be of particular interest to chemistry and neighboring fields.
Monica Gonzalez-Marquez
Abstract
Building on two decades of dedicated effort, Open Science in Chemistry has garnered renewed momentum. This personal perspective will sketch its evolutionary trajectory starting with Jmol and JChemPaint, via The OpenScience Project, the Chemistry Development Kit and the Blue Obelisk Movement. These developments will be compared with publishing models and the FAIR principles with a focus on their differences. Examples of the status quo will include recent research from projects like NanoCommons, SbD4Nano, Scholia, and WikiPathways, leading us to current challenges. The talk will end with a vision of the next phase in Open Science in Chemistry.
Jmol – Open-Source viewer for three-dimensional chemical structures
JChemPaint – Editor and viewer for 2D chemical structures
The OpenScience Project – Writing and releasing free and open source scientific software
Chemistry Development Kit – Collection of modular Java libraries for processing chemical information
Blue Obelisk – Promoting open data, open standards, and open source
GO FAIR Initiative – FAIR Principles
NanoCommons – Nano-Knowledge Community
SbD4Nano – Safe-by-Design for Nano project
Wikimedia Foundation – Scholia – Project to present bibliographic information and scholarly profiles of authors and institutions using Wikidata
WikiPathways – Open science platform for biological pathways
Recording of the Lecture
Please find the slides and transcript of the lecture as well as the transcribed questions and answers in the JuOSC collection item doi:10.34734/FZJ-2024-01574.
This is a revised ChatGPT 3.5 generated summary of the 16 page transcript:
The lecture explores the evolution and impact of Open Science principles in the context of chemical research with a focus on nano materials safety. The speaker reflects on their involvement in various projects and collaborations aimed at advancing Open Science practices. Key themes include the development of open-source tools like Chemical Development Kit, Bioclipse, Jmol and JChemPaint, the integration of chemical informatics and bioinformatics, and the utilization of ontologies and standards to enhance data interoperability and reproducibility.
The presentation emphasizes the power of Open Science in facilitating collaboration, knowledge sharing, lowering costs as well as the reuse and sustainability of research outputs. Examples such as the Blue Obelisk Movement and the eNanoMapper project illustrate how open science initiatives can lead to unexpected spinoffs and widespread adoption of scientific data and tools. The speaker also highlights the importance of adopting open standards and leveraging platforms like Wikidata to address challenges in data management, identification, and integration across disciplines.
Furthermore, the lecture underscores the need for continuous efforts to improve data accessibility, metadata standards, and community engagement in open science initiatives. The speaker calls for a shift towards more comprehensive management of research outputs and emphasizes the interconnected nature of scientific endeavors.
Why join this Lecture?
This lecture by Egon Willighagen (Maastricht University) is intended for all those interested in how Open Science is changing scientific practice in discipline-specific ways, and will be of particular interest to chemistry and neighboring fields.
About our Speaker
Dr. Egon Willighagen (Maastricht University) received his PhD from Radboud University Nijmegen in 2008 in the field of chemometrics and is known for his work on open science cheminformatics projects such as the Chemistry Development Kit. He studies how mathematical representation and computation can maximize outputs from theoretical and experimental development as applied to drug discovery, metabolomics, and toxicology, where WikiPathways plays a critical role. Dr. Willighagen was Editor-in-Chief of the Journal of Cheminformatics between 2016 and 2021, where he pushed for innovation in the journal, e.g. with the adoption of the Citation Typing Ontology.
Articles at Juelich Open Science Collection (JuOSC)
JuSER publications portal – JuOSC – Egon Willighagen
How to join?
How to join?
The Series will use a hybrid format where our speakers talk directly in front of a live audience as well as be telecast via Zoom. This format was selected to minimize barriers to participation.
The speaker series takes place at Forschungszentrum Jülich’s Central Library. You can also attend online via Zoom. The lectures will be recorded and made public afterwards.
If you intend to participate in-person please write additionally a mail to: m.gonzalez-marquez@fz-juelich.de
We look forward to seeing you there!
Jülich Open Science Speaker Series
Forschungszentrum Jülich’s Central Library (ZB) invites all scientists at Jülich, Helmholtz and our international guests to join the conversation on current developments in Open Science.
Forschungszentrum Jülich’s Central Library (ZB)
“We‘re implementing a theory driven open science practice at Jülich. This is both challenging and very exciting, as we move towards providing researchers at Jülich with a cohesive vision of how open science can benefit their scientific work as well as society at large,” says Monica Gonzalez-Marquez, who is responsible for the planning and implementation of open science activities of Jülich’s Central Library.
Your contact at ZB
Monica Gonzalez-Marquez
E-mail: forschungsdaten@fz-juelich.de
Research Data team