Jason Hlozek

May 30, 2024 | pubs.acs.org | Schmidt Futures |Jason Hlozek |Kelly Chibale |John Woodland

Special IssuePublished as part of ACS Medicinal Chemistry Letters virtual special issue “Exploring the Use of AI/ML Technologies in Medicinal Chemistry and Drug Discovery”. Developing novel medicines is a lengthy and challenging process. Candidate molecules need to advance through the various stages of the drug discovery pipeline, from hit discovery and medicinal chemistry optimization to clinical trials and ultimately (if successful) regulatory approval.

Sep 15, 2023 | nature.com | Gemma Turon |Jason Hlozek |John Woodland |Kumar Ankur |Kelly Chibale

AbstractStreamlined data-driven drug discovery remains challenging, especially in resource-limited settings. We present ZairaChem, an artificial intelligence (AI)- and machine learning (ML)-based tool for quantitative structure-activity/property relationship (QSAR/QSPR) modelling. ZairaChem is fully automated, requires low computational resources and works across a broad spectrum of datasets.