Google DeepMind says Antigravity speeds up drug discovery

Google DeepMind says Google Antigravity, equipped with its new Cheminformatics Skills, can accelerate tasks that typically take multiple days per iteration. In an example based on real-world lung cancer treatments, the agent searched thousands of compounds, performed matched molecular pair analysis and proposed novel rigidified macrocycles, including synthetic routes, in one hour.

According to Google DeepMind, the tools combine a language model for workflow orchestration, database navigation and scientific reasoning with deterministic tools for molecular calculations. They are grounded in RDKit and connected to resources from ChEMBL and PubChem. The article also uses the transformation from crizotinib to lorlatinib to explain how rigidification can reduce rotatable bonds and improve a drug’s potency.