Thurday 20th March, 2025
14:00-15:00
Speaker Kate Kemsley
AI, Chemometrics & co. for handling large analytical datasets
Advances in AI are transforming the way large analytical datasets are processed and interpreted. This talk will focus on recent developments in predictive modelling at the molecular sub-structure level, in particular its role in improving the assignment and verification of NMR spectra. Drawing on real-world examples from the food and drugs sectors, I will also touch on the use of machine learning as well as traditional chemometric approaches for treating classification problems, contrasting their strengths and limitations and how these might impact on decision-making in analytical chemistry.
14:00-15:00
Speaker Kate Kemsley
AI, Chemometrics & co. for handling large analytical datasets
Advances in AI are transforming the way large analytical datasets are processed and interpreted. This talk will focus on recent developments in predictive modelling at the molecular sub-structure level, in particular its role in improving the assignment and verification of NMR spectra. Drawing on real-world examples from the food and drugs sectors, I will also touch on the use of machine learning as well as traditional chemometric approaches for treating classification problems, contrasting their strengths and limitations and how these might impact on decision-making in analytical chemistry.
