US-based specialty pharmaceutical company Shuttle Pharmaceuticals Holdings has signed a non-binding Letter of Intent (LOI) to acquire Molecule.ai, an advanced artificial intelligence firm revolutionising drug discovery and development.
Founded by AI scientist and researcher Dr. ZT Zhang, Molecule.ai applies cutting-edge machine learning models and large language models (LLMs) to molecular evaluation, drug-target interaction modeling, and autonomous drug discovery workflows.
Its state-of-the-art platform is designed to transform how pharmaceutical and biotech companies identify and develop new therapeutics — enabling faster development timelines, lower costs, and a higher success rate in identifying viable therapeutic candidates.
“Our vision is to empower scientists with the most advanced AI-driven tools to push the boundaries of drug discovery,” said Dr. ZT Zhang, Founder and CEO of Molecule.ai.
Under the proposed agreement, Shuttle will acquire all rights, titles, and interests in Molecule.ai, free of all liens, and assume all its liabilities. At closing, Molecule.ai will have no outstanding obligations.
Molecule.ai will extend the current AI model and platform to support Drug-Target Interaction and will add first version of Agentic AI mode that enables an automatic workflow for drug discovery. Additionally, it will act as the lead liaison and headhunter, leveraging its relationships in the artificial intelligence community to recruit additional employees and strengthen the team.
The total purchase price is set at USD 10 million, payable in a combination of cash and Shuttle common shares, contingent upon the achievement of mutually agreed milestones.
Headquartered in Gaithersburg, Maryland, Shuttle Pharma is dedicated to improving outcomes for cancer patients undergoing radiation therapy (RT).
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