Chemical.AI, a global leader in Artificial Intelligence (AI) for synthesis route design and prediction and Chemaxon, a leading chemical and biological software development company, today announced a strategic partnership to create the possibility for end users to optionally have access to the Chemaxon’s Design Hub and Chemical.AI’s ChemAIRS.

Under the terms of the agreement, Chemical.AI’s ChemAIRS will use its unique data learning approach aided by chemistry knowledge to improve retrosynthesis route design cycle. Chemaxon’s Design Hub will contribute to generate virtual compounds by de novo design, importing from external workflows, structure-based searches in internal or external databases, and characterize them based on synthetic feasibility. This collaboration provides compatibility between Chemical.AI’s ChemAIRS and Chemaxon’s Design Hub to deliver a seamless user workflow and one-stop service from the compound design tracking and prioritization capabilities in Design Hub to innovative synthetic routes in minutes with diverse strategies in ChemAIRS.

“Despite decades of ground-breaking research in academia, organic synthesis is still a rate-limiting factor in drug-discovery projects,” said Ning Xia, founder and CEO of Chemical.AI. “We are thrilled to collaborate with Chemaxon to build up a mutually beneficial business model, by combining the strengths of Chemaxon specialized in compound design prioritization and Chemical.AI artificial intelligence in their synthetic routes designing platform technology.”

“We are confident that we could help our customers to expedite drug discovery and achieve time and cost efficiencies by using Chemical.AI’s core product ChemAIRS to provide a powerful combination for innovative routes’ design.” said Richard Jones, CEO of Chemaxon.

About Chemical.AI

Founded in 2018, Chemical.AI is one of the world’s leading companies leveraging Artificial Intelligence (AI) and Big Data to transform research and development. Core product ChemAIRS boosts success rates in synthesis route design and prediction, and open the mind of researchers and provide multiple synthesis strategies, including different key steps and key intermediates, helping chemists quickly find more successful methods and the most economically available starting materials. Furthermore, ChemAIRS integrates both external (commercially available starting materials) and internal data (including ELN and Building Blocks inventory) to design more appropriate routes.