Shuttle Pharmaceuticals submitted a letter of intent to acquire Molecule.ai for $10 million in cash and stock to incorporate the company’s AI models into Shuttle’s drug discovery workflows. Shuttle positioned the move as an immediate path to enter the AI‑driven discovery market and to accelerate target evaluation and hit‑finding for its oncology portfolio. Complementing the deal, recent research published in Nature Machine Intelligence presented a validated pipeline for molecular design and real‑world validation, underscoring growing industry interest in demonstrably reproducible AI design tools. Together the corporate move and methodological work reflect biopharma’s push to operationalize AI models in discovery and translational pipelines.