Eurofins DiscoveryAI: Accelerating and empowering drug discovery with end-to-end computational services

Jessica Marty, DiscoveryAI Project Manager, Jessica.Marty@discovery.eurofinsus.com; Sarah Biehn, PhD, Machine Learning Engineer, Sarah.Biehn@discovery.eurofinsus.com; Carleton Sage, PhD, DiscoveryAI Business Line Leader, Carleton.Sage@discovery.eurofinsus.com

Eurofins DiscoveryAI combines the power of AI with high-quality Eurofins Discovery proprietary data to build world-class platforms that supercharge drug discovery. The team, built from the ground up, features a collection of talented computational and medicinal chemists, machine learning engineers, and data scientists, all working together to create comprehensive tools that enable our clients to succeed early, improve decision-making, and explore chemical space beyond human capacity. DiscoveryAI offers several products and services to drive drug discovery, including:

• Advanced AI tools (SAFIRE): A collection of BioPrint-trained AI models that predict absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties. SAFIRE also features two scoring functions, physiochemical properties, and drug-likeness filters. Try SAFIRE for free, and learn more about SAFIRE development and performance by checking out the recent publication.
• Data as a service (EMERALD): Allowing access to comprehensive, high-quality proprietary datasets. Eurofins DiscoveryAI currently offers ADMET and Dosage datasets, with plans to expand and update this offering under its PIXIE project.
• Comprehensive computational chemistry services: Eurofins DiscoveryAI’s group of seasoned drug hunters leverage advanced in-silico techniques to enable the rapid identification and optimisation of lead compounds, drastically reducing the time and costs associated with traditional methods to ensure clients stay ahead in the competitive landscape.
• Advanced visualisation tools that provide clients with interpretations of assay results and recommendations for follow-up studies.

Overall, DiscoveryAI supports customers with products and services that enable them to make better-informed decisions to accelerate the path to groundbreaking therapeutics. Experience the future of drug discovery with DiscoveryAI solutions, designed to maximise efficiency and innovation. For more information, visit www.eurofinsdiscovery.com/solution/discoveryai.