Cheminformatics podcasts

Tim Wahlberg of CAS speaks with Rafael Rosengarten about the role of curated chemical knowledge in AI-assisted drug discovery. They examine scientific data quality, harmonisation and expert curation, and consider how reliable information can help researchers formulate questions and evaluate answers from large language models.

Hosted by Rafael Rosengarten

Alex Wiltschko explains efforts to predict smell from molecular structure and to give computers a useful representation of odors. He discusses graph neural networks, the difficulty of collecting olfactory data, and how learned embeddings connect chemistry to perception and potential practical applications.

Hosted by Sam Charrington