News Release

Insilico's Chemistry42 AI system integrated into UCB's drug discovery programs

Insilico Medicine announces that UCB will integrate its AI-based system for de novo molecular design, Chemistry42™, into its drug discovery programs

Business Announcement

InSilico Medicine

Insilico's Chemistry42 AI system integrated into UCB's drug discovery programs

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Credit: Insilico

March 9, 2021, 9:00 AM EST-- Insilico Medicine, an AI drug discovery company, announced that UCB will integrate Insilico's Chemistry42™ into UCB's internal drug discovery pipeline. UCB's early adoption of Insilico Medicine's proprietary technology will provide UCB's scientists with the ability to design novel hit compounds that satisfy multiple predefined parameters rapidly and streamline lead optimization. With the Chemistry42™ platform, UCB scientists will also reduce the efforts and costs typically associated with the design, testing and commercialization of new drugs. Chemistry42™ v1.0 will be customized and deployed on UCB's cloud-based supercomputing infrastructure.

Chemistry42™ is a flexible, user-friendly software platform that integrates artificial intelligence (AI) methods with the fields of medicinal and computational chemistry for the design of novel small molecules with user-defined druglike physicochemical properties. The platform is a scalable distributed web application capable of running multiple tasks in parallel in a matter of hours. Container orchestration and workflow management allow for predictable hardware-agnostic resource allocation and the implementation on either cloud or local HPC infrastructures.

"UCB is one of the leading companies in small molecule drug discovery. It was their insight and approach at the forefront of this science that encouraged us to move into AI-powered chemistry over five years ago and it gives me great pleasure to see UCB among the launch partners of our Chemistry42 operating system," said Alex Zhavoronkov, Ph.D., CEO of Insilico Medicine.

"Insilico Medicine has been very responsive in this quickly developing area of science and we are delighted to be one of the launch partners for Chemistry42," Jiye Shi, Global Head of Computer-Aided Drug Design at UCB said, "Our hope is that this platform will further enhance the digital transformation of our drug discovery capabilities for the benefit of patients worldwide."


About Insilico Medicine

Insilico Medicine develops software that leverages generative models, reinforcement learning (RL), and other modern machine learning techniques to generate new molecular structures with specific properties. Insilico Medicine also develops software for the generation of synthetic biological data, target identification, and the prediction of clinical trial outcomes. The company integrates two business models: providing AI-powered drug discovery services and software through its Pharma.AI platform ( and developing its pipeline of preclinical programs. The preclinical program is the result of pursuing novel drug targets and novel molecules discovered through its platforms. Since its inception in 2014, Insilico Medicine has raised over $52 million and received multiple industry awards. Insilico Medicine has also published over 100 peer-reviewed papers and has applied for over 25 patents. Website

About UCB

UCB, Brussels, Belgium ( is a global biopharmaceutical company focused on the discovery and development of innovative medicines and solutions to transform the lives of people living with severe diseases of the immune system or of the central nervous system. With 7,500 people in approximately 40 countries, the company generated revenue of € 4.9 billion in 2019. UCB is listed on Euronext Brussels (symbol: UCB). Media Contact For further information, images, or interviews, please contact

UCB Media Contact Karen Borrer +44 (0)1753 713006

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