James McDonagh and Nicholas James Coltman, PhD are attending the 15th Global Summit on Regulatory Science Annual Conference at the SwissTech Convention Center in Lausanne.
James and Nic will be jointly presenting a poster "Data Analysis and Modelling of Toxicity End Points for Seizure Risk" James L. McDonagh, Nicholas Coltman, Kimberly Louise Rockley, Louisa Zolkiewski, Ruth Roberts, Michael Morton, James Sidaway, Magali-Anne Maizières, Karen Jones, Katie Newman and Hannah Jennings
Abstract:
Data modelling methods, such as, machine learning and deep learning models can be used for the classification and prediction of toxicity end points. CNS liability is a major risk in drug discovery and development, leading to delays and failures yet it remains a consideration typically at later stages of the discovery process. Here, we outline the use of different data modelling and data representations methods discussing key considerations when building and selecting such methods for modelling toxicity end points, focused on novel modelling for seizure risk.
We have developed a bespoke in-house data set, built on a select group of drug-molecules, chosen based on sub-structure components related to seizure liability, using an electrophysiology assay to determine IC50 values at the chosen ion channels. We present an initial data analysis and preliminary modelling based on this data set, highlighting key early scientific findings this novel modelling approaches. #drugsafety #drugdiscovery #GSRS2025