Merck Acquires Start-up with Retro-Synthesis Software

  • Author:
  • Published: 13 May 2017
  • Copyright: Wiley-VCH Verlag GmbH & Co. KGaA
  • Source / Publisher: Merck KGaA
  • Associated Suppliers: Merck KGaA, Darmstadt, Germany
thumbnail image: Merck Acquires Start-up with Retro-Synthesis Software

Merck has acquired Grzybowski Scientific Inventions (GSI). GSI was founded in 2013 by Bartosz Grzybowski who invented Chematica, a computer-aided retro-synthesis tool. Financial details of the transaction were not disclosed.

According to GSI, Chematica can design chemically viable synthetic pathways for complex targets - including drugs, natural products, theoretical molecules - within seconds. It uses advanced reaction rules (tens of thousands of expert-defined rules of chemical reactivity) and proprietary algorithms to identify synthesis pathways that meet user-defined constraints and lead to desired targets in the most cost-effective way.

According to Merck, virtual synthesis significantly reduces the time between chemical target conception and route evaluation by using a lab’s preferences to filter millions of data points. Significant benefit is especially seen in the fields of medicinal chemistry and drug discovery.

The Chematica tool is available now through a limited release for users in academia and in industry.

Article Views: 2781

Sign in Area

Please sign in below

Additional Sign In options

Please note that to comment on an article you must be registered and logged in.
Registration is for free, you may already be registered to receive, e.g., the newsletter. When you register on this website, please ensure you view our terms and conditions. All comments are subject to moderation.

Article Comments - To add a comment please sign in

If you would like to reuse any content, in print or online, from, please contact us first for permission and consult our permission guidance prior to making your request

Follow on Facebook Follow on Twitter Follow on YouTube Follow on LinkedIn Follow on Instagram RSS Sign up for newsletters

Magazine of Chemistry Europe (16 European Chemical Societies) published by Wiley-VCH