Agentic cheminformatics with Google Antigravity

Designing new medicines requires curating complex data from charts, figures and literature, training predictive models, and proposing candidate molecules to synthesize — a workflow that typically takes multiple days for a single iteration.

Here we show how Google Antigravity, equipped with our new Cheminformatics Skills, accelerates drug discovery workflows. Using real-world lung cancer treatments, an agent searches through thousands of compounds, performs matched molecular pair analysis, and proposes novel rigidified macrocycles with synthetic routes in just an hour.