Lilly TuneLab expands Grünenthal’s in‑silico capabilities in drug discovery

Artificial intelligence (AI) and machine learning (ML) are becoming integral to modern drug discovery. They enable scientists to analyse complex datasets, predict molecular properties and make evidence-based decisions before compounds are synthesised or tested in the laboratory. Grünenthal has already implemented proprietary AI and ML approaches across R&D that facilitate molecular design, property prediction and medicinal chemistry decision-making. By combining computational methods with scientific expertise, our experts focus experimental work on the most promising hypotheses and compounds.

Expanding our AI ecosystem

Joining TuneLab is the next step in expanding the AI-enabled toolbox of our scientists. The collaborative platform, created by Eli Lilly and Company (Lilly), gives members access to predictive AI and ML models trained on more than 2 million+ preclinical data points generated over two decades of Lilly research. These models draw on in vitro and in vivo pharmacokinetic and toxicology data and can support the prediction of ADMET properties of small molecules. For Grünenthal, TuneLab complements our internal capabilities, broadens our in-silico toolbox, and provides an additional basis for benchmarking data-driven approaches across R&D.

Collaborative learning with protected data

TuneLab uses federated learning, a privacy-preserving approach that allows participating organisations to improve shared models without disclosing proprietary datasets to one another. Data remain within each participant’s protected environment, while relevant, non-confidential learnings can contribute to model development. This design enables collaboration while safeguarding intellectual property.

Ultimately, our participation in TuneLab reflects our broader ambition to combine scientific expertise, high-quality data and responsible use of AI to address patient’s unmet medical needs through meaningful innovations.

Lilly TuneLab is part of Lilly Catalyze360, alongside Lilly Ventures, Lilly Gateway Labs, and Lilly ExploR&D, which together support biotech innovation by providing access to strategic capital, lab space and technology, and research and development capabilities.