Solve retrosynthesis for chiral molecules:
Drug-like compounds often have chiral centers. These will be preserved in the retrosynthesis plan with a chiral pool-approach and a regioselectivity filter avoids routes of uncertain regioselectivity.
Reaxys Predictive Retrosynthesis powered by Iktos
Boost your team’s productivity with a synthesis planning AI that delivers robust and diverse synthesis routes in minutes!
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As molecules become more complex, so do their syntheses. On top of this, chemistry teams face increasing pressure to deliver efficient routes, making retrosynthesis even more challenging. Inevitably, those who do not adopt AI will be outcompeted.
This is why Elsevier has partnered to develop a best-in-class predictive retrosynthesis tool, based on Reaxys’ high-quality reaction data and Iktos’ innovative retrosynthetic AI.
Synthetic predictions are based on the largest number of transformations rules in any predictive tool.
Proposed routes are supported by high-quality literature references, for confident route selection.
Routes are always terminated on commercial substances, from the largest library of commercial building blocks.
Integrated in Reaxys’ user-friendly interface, and available via API, Reaxys Predictive Retrosynthesis will enhance your team’s synthetic knowledge.
How can the module help you?
Execute routes on time and budget:
Define the price of starting materials and filter those with shipping times under 10 days, to ensure building blocks meet your project timelines and cost requirements.
Reduce risk of toxic side products:
Exclude intermediaries with known safety issues. Avoid unstable compounds or those that can lead to genotoxic impurities at scale-up.
Optimize scale-up of small-molecules:
Include intermediates relevant to optimizing your supply chain. Limit the number of reaction steps to obtain shorter routes. Avoid loss of yield due to additional steps and unnecessary purification processes.
API to accelerate synthesis workflows:
Run searches for hundreds of compounds at the same time to speed-up projects. Integrate Reaxys Predictive Retrosynthesis’ API into ELNs and chemistry ecosystems, for seamless access to predictive routes in your workflow tools.
Reaxys Predictive Retrosynthesis powered by Iktos - 7min demo
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Reaxys Predictive Retrosynthesis powered by Iktos - 7min demo
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