Global Reaxys User Day looks to the future

“AI and the Future of Chemistry” was the theme for our most recent Global Reaxys User Day, which was held on June 12, 2024. As always, this event offered an opportunity for participants to hear from industry leaders, learn from presentations on innovative research and techniques, and receive practical tips on how to get the most out of Reaxys.

This Reaxys User Day opened with a keynote address from co-founder and CSO of Iktos, Quentin Perron, PhD. In his presentation, Dr. Perron gave an overview of the latest AI-powered technologies being used in drug discovery before observing that while AI brings a new perspective on what to make, the fact is that you still have to make it.

In Dr. Perron’s view, one of the key aspects of the future of chemistry is about figuring out, “How can I go from a listing of molecules, whatever the design, to powders ready to be tested … as fast as possible?” Noting that “we have to accelerate the chemistry,” he then focused his talk on how the Iktos platform works to do just that. He discussed Iktos’ AI-driven retrosynthesis, the role of robotics and a breakdown of how their chemistry-performing robot works, and much more.

Reaxys is excited to be launching a new Iktos-powered predictive retrosynthesis module, and in a nod to the partnership, Dr. Perron concluded by saying, “We decided to team up with Elsevier because we thought mixing the high-quality data Reaxys has with reactions, and the best AI we have been able to design over the years, we thought that there is an opportunity to design the best retrosynthesis technology in the market.”

Several more interesting presentations followed throughout the day’s two sessions.

In “Unleashing Reaxys: Mastering the Art of Efficient Searches,” Karen Ontiveros, PhD Information Manager at Novartis, along with Carine Culot-Rypens, PhD Customer Consultant at Elsevier, gave a presentation that all Reaxys users will benefit from, since everyone wants to be able to conduct quick and effective searches.

By focusing on a topic that has been of particular interest to Novartis, Radioligand Therapy (RLT), Dr. Ontiveros demonstrated how to best perform three different types of searches:

• Literature search (using Quick search and Query Builder)
• Structure search
• Target search (showcasing how Reaxys can help in the design of compounds interacting with a specific target)

The presentation touched on numerous aspects of each type of search, from tips on how to choose the best search terms to different ways to play with the structure within structure searches. Users were guided through many examples to cover the various features that Reaxys search provides to help you get the results you need.

In “Development of Crop Protection Molecules: Leveraging Reaxys for Active Generation”, Erin Hancock, Ph.D. Research Investigator at Corteva Agriscience, explained that the goal of crop protection is to ensure high-yielding and sustainable food sources for our communities. So, how do they do that?

In her presentation, Dr. Hancock highlighted crop protection discovery approaches and discussed how Corteva’s Active Gen teams use Reaxys, sharing how they utilize many Reaxys features, from Query Builder to Predictive Retrosynthesis. Dr. Geraets then provided a comprehensive demonstration on Reaxys Predictive Retrosynthesis to help participants use it more efficiently in their own work.

President of NewChem Science Inc and chemistry-focused YouTube creator Josiah Newton, PhD ("That Chemist"), who runs the channel with almost 240K followers, serving as a reference for new generations of chemists, was joined by Giulia Moncelsi, Phd, Solution Engineer at Elsevier, for the presentation “Connecting Research and Reach: Empowering the Next Generation of Chemists with New Media”.

In this talk, Dr. Newton, early career chemist, started by discussing how he used Reaxys regularly as a graduate student, going on to offer some great guidance and lessons learned on creating and sharing science-themed videos for an online audience. Any scientists out there hoping to connect with a broader audience will find this a helpful primer from someone who has had a lot of success as a YouTuber.

Dr. Newton also shared useful tips on how educators can connect more effectively with the newer generation of chemists. Following his presentation, Dr. Moncelsi showed Reaxys User Day participants how they can search for reactions on ScienceDirect Topics, then explore the reaction further in Reaxys. As with all the presentations, there was also an enlightening Q&A with the presenters at the end.

Throughout the Global Reaxys User Day event, members of the Reaxys team shared insightful Tips and Tricks to maximize the Reaxys experience (check out the videos here and here). Other interesting segments during the day included an interactive “Design Reaxys Features with Us!” session with UX designer Maria Baron, and the forward-thinking “AI and the Future of Reaxys” talk with Paloma Engel Garcia, PhD, Director, Reaxys Product Management and Vincent Neary, PhD Customer Consultant, who shared the many fascinating features and technologies that Reaxys will be offering in 2024 and 2025.

As Dr. Garcia said at the end of her talk, “Please stay tuned, there is more to come. We are continuously innovating, especially with your input. I hope you’ve enjoyed the talk today!”

Watch all the videos from Global Reaxys User Day here.