Organic Synthesis Software

The Life Science Business of Merck KGaA, Darmstadt, Germany, Acquires Grzybowski Scientific Inventions to Expand Chemical Synthesis Offering

Grzybowski Scientific Inventions’ flagship organic synthesis software product is capable of “chemical thinking” with the ability to design chemically viable synthetic pathways for targets.

  • Revolutionary computer-aided retro-synthesis software that enhances productivity for practicing organic chemist
  • Complements our leading e-commerce platform and chemistry portfolio of more than 400,000 building blocks, catalysts and reagents for chemical synthesis

Some of the retro-synthesis software's benefits include:

  • A powerful assistant to organic chemists that combines advancements organic synthesis with artificial intelligence
  • Ability to navigate pathways in a manual step by step mode or in fully automated mode
  • Scrutinize millions to billions of potential syntheses and design complete viable pathways in seconds
  • Programing fully accounts for stereo- and regio-chemistry, knows protection chemistries, can strategize over multiple steps, recognizes reactivity conflicts, calculates electronic effects, and more
  • Customer provided criteria such as greener products, least expensive starters, safest route, or fastest route are used to  determine personalized ideal synthesis pathway
  • Offering new pathways to NOVEL compounds as results are not just based on available literature
  • Results have been validated in laboratory practice

To get an inside view of this product, watch the short video below:
 

  • "Chemical internet discovers new ways to make drugs” by New Scientist —"...taught to learn new rules, as well as to restructure existing knowledge, the software might even throw up ways to make totally new compounds with useful applications.

  • "Chematica Offers Network of Organic Chemical Knowledge” by Tiffany Kaiser in Daily Tech - "It uses algorithms and organic chemical information to search and analyze chemicals and reactions."

  • "The automatic chemist” by Philip Ball in Chemistry World - "...a ‘chemo-informatic’ scheme, Chematica, that can stake a reasonable claim to being paradigm-changing."

  • "Revolutionary computer program could change chemistry forever" by Matthew Gunther in Chemistry World — "Chematica’s algorithms to search for pathways quickly, and in a fraction of the time it would take to sift through a database or list."

  • "Enabling Technologies for the Future of Chemical Synthesis” by Prof. Steven V. Ley in ACS Central Science — "The benefits that can be realized through the use of machine assistance need not be limited to a few specific opportunities, but rather a broader view across all synthesis environments is necessary."

  • "Chematica combines seven million chemicals into a complete network of reactions” by Next BIG Future — "A family of algorithms that searches and analyzes the network allows the chemist at his or her computer to easily tap into this vast compendium of chemical knowledge."