AI/ML in bioinformatics and CNS drug discovery

The presentation will introduce how machine learning supports drug discovery at Astex, with a focus on modelling single‑cell RNA‑seq data to understand neurodegenerative diseases such as ALS. This is an area where modelling objectives do not naturally fit traditional supervised or unsupervised learning frameworks. The session will outline standard KNN‑graph–based analytical approaches and compare them with modern VAE‑based counterfactual modelling, highlighting how each method addresses the challenges of complex biological data.