In today’s fast-paced pharmaceutical landscape, leveraging computational chemistry is essential to accelerating drug discovery, reducing costs, and improving candidate selection. Our integrated approach combines decades of expertise with cutting-edge AI-driven tools to support every phase, from hit identification to lead optimization.
With 600+ experts in drug discovery, Eurofins Discovery provide a seamless connection between computational insights and experimental validation, ensuring reliable and data-driven decision-making.
Computational Chemistry Services – Bringing Molecules to Life with Data-Driven Precision
AI-Driven Virtual Screening & Hit Identification
- Explore 20+ billion compounds in our virtual screening library to rapidly identify promising hits.
- AI-enhanced modeling expands chemical diversity and uncovers novel scaffolds.
- Reduce early-stage costs and discovery timelines with access to more than 12,000 off-the-shelf assays and efficient screening and profiling capabilities to quickly test your hypothesis and effectively advance your programs.
Structure-Based Drug Discovery & Molecular Modeling
- High-precision molecular docking using OpenEye, and Chemical Computing Group software.
- Advanced protein-ligand interaction Molecular dynamics simulations to guide the ligand optimization process.
- Predict binding affinities and optimize candidates with greater accuracy.
AI-Powered Research Informatics & Predictive Modeling
- Our internally developed tools are used in projects and in virtual screening to predict ADME properties (SAFIRE) and potential off-target liabilities (OPLE)
- Our proprietary DiscoveryAI’s EMERALD database integrates the latest scientific insights for smart decision-making.
- “Literature-to-Lead” strategy leverages AI to mine publications and identify emerging trends.
- Machine learning enhances predictive modeling for compound prioritization and early safety predictions.
- Learn more about Eurofins DiscoveryAI’s Comprehensive End-to-End Computational Services
Computational Chemistry Services and Seamless Integration with Experimental Validation
- Computational chemistry meets synthetic and medicinal chemistry for a streamlined workflow.
- De-risk projects with a data-driven approach from hit-to-lead to IND-enabling studies.
- Ensure strong intellectual property (IP) protection with innovative compound design.
- Why Partner with Us?
- Proven Track Record – Our team has contributed to marketed drugs and clinical candidates.
- Flexibility & Customization – Tailored solutions for small molecules, degraders, ADCs, and peptides.
- End-to-End Support – From target validation to IND-enabling chemistry, we cover the full pipeline.
- Speed & Efficiency – Our AI-enhanced methods cut discovery time while maintaining quality.
Let’s Accelerate Your Next Breakthrough
Unlock the power of computational chemistry and turn promising concepts into clinical success. Whether you’re a biotech startup or a global pharma leader, we provide the expertise, tools, and partnership you need to drive innovation.
Contact us today to discuss your project and see how we can support your next discovery.
