In this free webinar, our panellists will discuss the importance of data standards in chemistry. They will share thoughts on community-endorsed and commercial standards, and explore their limitations.
This webinar took place on Tuesday June 23rd, 3 pm BST.
Watch the recording!
Speakers
J. Christian Baber, Chief Portfolio Officer, The Pistoia Alliance, UK
Christian Baber is a chemist by training and holds undergraduate and PhD degrees in computational chemistry with a focus on AI techniques to assess the synthetic accessibility of de novo design compounds. Christian continued this work with a post-doctoral fellowship on the automated design of targeted combinatorial libraries at the Department of Knowledge Engineering, Osaka University, Japan before moving into industry initially as a computational chemist and cheminformatician. Christian has a wide breadth of R&D experience across companies ranging from startups to large pharma with a focus on informatics and predictive modeling for drug discovery but has also managed development systems and lab & automation teams including compound management and high-throughput purification. As Chief Portfolio Officer of the Pistoia Alliance, he is responsible for all of the projects, communities and training run under the umbrella of the Alliance from the initial idea, through execution, to delivery of artifacts and sustainability of products.
Talk title: Chemical standards and representation – SLIDES
Jonathan M Goodman, Professor of Chemistry, University of Cambridge, UK
Jonathan Goodman studied boron-mediated aldol reactions during his PhD with Professor Ian Paterson FRS at the University of Cambridge. He then did postdoctoral research with Professor Clark Still at Columbia University, before returning to Cambridge, where he is now Professor of Chemistry and a Fellow of Clare College. He currently chairs the CSA Trust, is a trustee of the CCDC, is a committee member of the RSC’s chemical information and computer applications group (CICAG) and attends the InChI Trust Board ex officio. His current research focusses on analysing reaction mechanisms, interpreting analytical data, and developing methods in chemical informatics.
Talk title: InChI, wInChI spider – SLIDES
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