CPACT’s Statistics and Chemometrics
Working Group
Webinar on Generative AI in
Chemometrics
10th December 2026 at 3pm
UK time
In this webinar we will have 3 short talks regarding 3
perspectives on generative AI in chemometrics.
Mark Earll from Syngenta
AI is fulfilling the dream that you can address a computer
in natural language and get it to do stuff without having to learn obscure
programming languages. Mark will describe his experiences in “Collaborative
Software Engineering” a.k.a “Vibe Coding” over the last 9 months creating
applied chemometrics tools in R-Shiny that solve specific problems for chemists
and engineers. The experience has been extremely positive, akin to having a
capable research assistant/programming team by your side. This has enabled a
much deeper understanding of chemometric methods and exploration of algorithms
not implemented in commercial software as well as de-mystifying some of
the ‘hearsay’ and ‘dark art’ surrounding Chemometrics
Arthur McWhirter-Loudon from University of Surrey
A major challenge in many public and academic papers in
demonstrating chemometric methods or developing AI models is a lack of data. In
this short talk we review the current trends and methods for using Generative
AI for simulated data. The work looks at reproducing and making comments on the
use of LLMs, VAEs and GANs in spectral datasets and their relative success.
Owen Rehrauer from Sentronic
There exists a tremendous amount of excitement for many
methods called "AI" within the PAT and chemometrics community. While
exciting, these methods have limitations and drawbacks that should be
considered when implementing "AI". This talk will discuss scientific,
practical, and (when relevant) regulatory considerations in the implementation
of AI approaches in, and supporting, chemometric data analysis.
This webinar will last no longer than one hour.
The webinar is for CPACT members only and is free to attend.
Please register at:
https://universityofstrathclyde.webex.com/weblink/register/r130064aec1f82ef6d5465b350ae9d56a