Drug Discovery is Arduous
Developing a new drug is a long and expensive process that involves sifting through thousands of molecular candidates to find the most suitable one. Researchers need to carry out huge numbers of experiments across several rounds of optimization.
The majority of today’s pharmaceuticals are ‘small molecule’ compounds, composed of a few hundred atoms or less. This diverse group of compounds may have little in common, except for their relative size and the fact they often require complex synthesis planning.
At the heart of small molecule drug discovery is chemical synthesis, which involves medicinal chemists creating new molecules through a complex, step-by-step process. Despite decades of research this is still a long, laborious procedure – and is a key bottleneck for advancing new medicines to the clinic.
But recent advances in AI-based software offer unprecedented new opportunities to help speed up this stage of drug discovery and get effective drugs to patients, faster.
Reduce Risk & Improve Synthesis Outcomes with SYNTHIA™
Indeed, we’ve come a long way from the earliest days of chemical synthesis, standing over a steaming kettle in a quest to transmute lead into gold. However, the modern chemist still labors over a different kind of bubbling cauldron – one of cheminformatics. With hundreds of millions of known compounds and documented reactions, today’s synthesis planning relies on connecting the wisdom and practical expertise of an experienced organic chemist with the automation and advanced algorithms found in modern retrosynthesis software.
While the simplicity and elegance of E.J. Corey’s retrosynthetic analysis allows it to remain a pillar for the student of organic chemistry, it has been supplemented by powerful computer software with advanced algorithms to support the synthetic chemist in the last few decades.
This new age of enhanced computer-aided retrosynthesis is still in its infancy, and like all new tools, has been both lauded and criticized. Although the potential for these tools to further mitigate risks to industrial synthesis has already become clear, it would be an oversight to omit the impact on human capital, ingenuity, or resources when discussing risk in any economic endeavor – and nothing evokes this more strongly than tools claiming to have artificial intelligence. Nevertheless, a more powerful calculator has yet to fully replace the mathematician.
SYNTHIA™ Goes Beyond the Literature
Like all tools, there is an art to being productive with each one – and art vis-a-vis creativity, is a domain that will forever belong to human intellect. Moreover, we must remain cognizant of the specific use-cases that have been successfully managed with automation and artificial intelligence. Many grudgingly mundane physical tasks have been replaced by machines allowing human operators the freedom and creativity to direct their energy towards decision making and other project-related goals.
SYNTHIA™ Retrosynthesis Software is a decision support platform that assists both discovery and process chemists to design synthesis routes to structurally diverse chemical targets. Since the software is not reliant upon the published scientific literature alone, synthesis routes to new and previously unreported molecules can be planned with confidence.
Developed over 15 years and powered by advanced algorithms that are coded with the organic chemistry rules that we all know, SYNTHIA™ Retrosynthesis Software helps organic chemists to think beyond the published literature. Developing novel, yet robust routes to complex molecular targets requires a synergistic human-computer interface that, by design, encourages the end user to go further. SYNTHIA™ meets this objective by proposing computer-vetted routes that can be easily modified and expanded based on the preferences of the end-user. Expert-coded chemistry rules that know what reactions work and what reactions won’t work in the context of a synthetic route are what differentiate this software from other retrosynthesis platforms on the market today.
MilliporeSigma offers one of the broadest portfolios in the industry for scientists, best-in-class products for pharmaceutical development and manufacturing, and a fully integrated service organization to support CDMO and contract testing across traditional and novel modalities. Our vision is a world where our innovative products, services, and digital offerings help create solutions for people globally and a sustainable future for generations to come. We provide inﬁnite solutions to solve the toughest problems in life science in collaboration with the global scientiﬁc community. Our tools, services and digital platforms empower scientists and engineers at every stage, helping deliver breakthrough therapies more quickly.
About Drug Discovery Innovation Programme 2022
Drug Discovery Innovation Programme is an invitation-only and one of the best platforms to learn the latest insights and develop lasting business relationships.
This year’s Drug Discovery Innovation Programme will highlight the challenges discovery pipelines have faced due to COVID-19 and will put a spotlight on thec adoption of technology to finding the solutions.
With over 100+ attendees, learn how modernization in R&D processes is fundamentally changing what the drug discovery research will look like in the next two to five years.
So, join us in 2022 for an in-person experience and 2-days of top-level strategic content and the current scientific insights, networking, and discussions from leading global pharmaceutical R&D executives.
Companies in attendance for 2022 will include Servier Pharmaceuticals, Monte Rosa Therapeutics, University of Oxford, WPD Pharmaceuticals, AISA Therapeutics, Anima Biotech, PDC*line Pharma, Eli Lillly and Company, Symphogen, IRB Barcelona, Axonis Therapeutics, Genentech, Arakis Therapeutics, Johnson & Johnson, Amgen, Revitale Pharma, Progenra Inc, CERo Therapeutics, Merck and much more.