Eli Lilly adds insitro AI drug models to TuneLab

Eli Lilly and Company and AI drug discovery firm insitro announced on October 6, 2026, that advanced machine learning models are now available in Lilly TuneLab. Selected biotechnology companies using the platform can apply these tools to predict the in vitro and in vivo properties of small molecules.

The models stem from a collaboration announced in September 2025. They were trained on multi-species preclinical data collected by Lilly over decades of research across hundreds of thousands of unique molecules. The training set covers established absorption, distribution, metabolism, excretion, and toxicity measurements.

Aliza Apple, vice president of Catalyze 360 AI/ML and global head of Lilly TuneLab, stated that these tools allow teams to use signals typically seen only in later in vivo testing during the virtual screening phase, before a molecule is synthesized.

TuneLab operates as part of Lilly Catalyze360 alongside Lilly Ventures, Lilly Gateway Labs, and Lilly ExploR&D. Built on federated learning infrastructure hosted by a third-party provider, the platform aims to help early-stage drug discovery teams reduce late-stage clinical failures and lower reliance on animal testing.