Gemma Turon

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.