Synthia™ software (formerly Chematica) commercially launches at ACS 2018.
Synthia™ software (formerly Chematica) commercially launches at ACS 2018
Computer-aided retrosynthetic design tool drastically reduces time required to find, execute viable synthetic routes to known, novel molecules
Reduced time in the synthetic pathway design phase and successful synthesis of novel molecules with few repeated attempts leads to rapid drug discovery
MilliporeSigma will unveil its latest innovation, the Synthia™ software, at the 256th American Chemical Society (ACS) National Meeting & Exposition 2018 in Boston, Massachusetts to be held August 19-23, 2018. The company’s revolutionary tool augments the expertise of chemists by combing tens of thousands of expert-defined rules of chemical reactivity.
Using sophisticated algorithms, MilliporeSigma’s Synthia™ software scrutinizes millions of synthetic pathways and presents highly customizable routes that can be optimized for efficiencies in cost, step count and minimal protecting group requirements. A user can even choose starting building blocks or chemistries to avoid. The Synthia™ software is aimed at fast-tracking pathways to drug discovery, allowing chemical efficiencies to positively impact the lives of patients.
In a laboratory experiment testing syntheses for eight commercially valuable or medicinally relevant targets, the software significantly improved overall outcome (yield and/or reduced production costs). It also enabled the first repeatable reported synthesis for one target on which previous synthetic attempts had failed and also facilitated another synthesis for the very first time. In one instance, the Synthia™ software provided an alternative pathway to a patented route, producing a commercially viable product. These results were announced in “Efficient Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the Laboratory” in Chem Volume 4, Issue 3, March 8, 2018.
Attendees are invited learn more about how the Synthia™ software and other MilliporeSigma innovations help chemists optimize their reaction conditions and diversify drug leads by visiting booth #2218.
MilliporeSigma experts will share best practices and insights across a variety of chemistry-related topics at the following ACS presentations and panel discussions:
Retrosynthetic software for practicing chemists: Novel and efficient in silico pathway design validated at the bench – Wednesday, August 22, 2:40 p.m.
Predicting the outcomes of Diels-Alder reactions via machine learning vs. quantum methods – Tuesday, August 21, 6 p.m.
Navigating around patented routes with the help of computer-driven retrosynthetic analysis – Sunday, August 19, 4 p.m.
For a full list of ACS activities, visit www.SigmaAldrich.com/acs.
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About the Life Science Business of Merck KGaA, Darmstadt, Germany
The Life Science business of Merck KGaA, Darmstadt, Germany, which operates as MilliporeSigma in the U.S. and Canada, has 20,000 employees and 60 manufacturing sites worldwide, with a portfolio of more than 300,000 products enabling scientific discovery. Udit Batra is the global chief executive officer of MilliporeSigma.
Merck KGaA, Darmstadt, Germany completed its $17 billion acquisition of Sigma-Aldrich in November 2015, creating a leader in the $125 billion global life science industry.
Merck KGaA, Darmstadt, Germany is a leading company for innovative and top-quality high-tech products in healthcare, life science and performance materials. The company has five businesses – Biopharmaceuticals, Consumer Health, Allergopharma, Life Science and Performance Materials – and generated sales of €15.3 billion in 2017. Around 53,000 employees work in 66 countries to improve the quality of life for patients, to foster the success of customers and to help meet global challenges.
Merck KGaA, Darmstadt, Germany is the world’s oldest pharmaceutical and chemical company – since 1668, the company has stood for innovation, business success and responsible entrepreneurship. Holding an approximately 70 percent interest, the founding family remains the majority owner of the company to this day. The company holds the global rights to the name and the trademark “Merck” internationally except for the United States and Canada, where the company operates as EMD Serono, MilliporeSigma and EMD Performance Materials.
