Chemical.AI is an artificial intelligence company which commits to develop tools, such as predictive retrosynthesis, for chemists for life science industry, combining artificial intelligence, big data and machine learning to accelerate the innovation.

Founded in 2018, Chemical.AI leads the innovation in chemical synthesis through AI and automation. We work with over 100 companies and research institutes to enhance chemical synthesis strategies, processes, and productivity by integrating proprietary retrosynthesis algorithms, comprehensive chemical data, and state-of-the-art robotic lab ...

ChemAIRS adeptly predicts possible impurities in chemical reactions, offering predictions and analyses of the impurity based on a given molecular weight. Predictions are further screened by information on isotopes, structures, etc.

Combining AI (artificial intelligence) + IoT (Internet of Things) + Automation, based on rich experience in chemical informatics, the self-developed artificial intelligence algorithm empowers composite robots.

Chemical.AI is an artificial intelligence company which committed to develop tools, like predictive retrosynthesis, for chemists for life science industry, combining artificial intelligence, big data and machine learning to accelerate the innovation.

Blending machine learning with chemical intuition, ChemAIRS retrosynthesis is able to support chemists with feasible and diverse routes designed for existing and novel molecules.

Chemical.AI is an artificial intelligence company which commits to develop tools, such as predictive retrosynthesis, for chemists for life science industry, combining artificial intelligence, big data and machine learning to accelerate the innovation.

With Chemical.AI’s proprietary deep learning algorithm and ever-growing chemical dataset, ChemAIRS provides state-of-art retrosynthetic planning, fully considering key factors including reaction feasibility, functional group compatibility, chiral synthesis strategies, and many more.

Create extensive libraries of novel chemical structures that are highly synthesizable, backed by costs and reaction steps. Screen and prioritize existing or novel compounds efficiently, allowing exploration of a much vaster space.

• Identify synthetic strategies for complex and new chemical entities • Automate synthesis to generate IP-free compound libraries • Boost in-house chemistry expertise with our ML-augmented tool