Nicholas J. Skelton

The paper introduces PhenoCompass, a model for virtual phenotypic screening that identifies novel PI3K/mTOR inhibitors from a large compound library.

This paper introduces TxConformal, a framework that controls false discoveries in AI-driven therapeutic discovery by adjusting for distribution shifts and providing confidence measures for AI scores.

This study combines high-throughput screening with deep learning to identify novel antibacterial compounds, achieving a 90X higher hit rate than traditional methods.