ChemAutoML: Open Chemistry

Project Overview

About

ChemAutoML is an open-source platform that automates the development of machine learning models for pharmaceutical chemistry. By removing the need for coding expertise, it empowers researchers to accelerate drug discovery, including for neglected diseases. The tool generates predictive models and explainability visualisations, making results more transparent and actionable. Recent tests show its performance matches or exceeds expert-built models. With new features and upcoming publication, ChemAutoML is poised to democratize AI use in drug development worldwide