Molecular Data
A large-scale molecular resource provides broad coverage of chemical space for discovery and prioritization.
01 · EXPLORE
Molecular
Possibilities
A continuously expanding molecular resource combines commercially available compounds, a 100+ billion-scale molecular dataset, and AI-enabled exploration of new synthesizable chemical space.
← Back to Our ApproachLARGE-SCALE MOLECULAR EXPLORATION
A growing foundation for molecular discovery.
UDD maintains access to molecular data at a scale exceeding 100 billion structures, complemented by collections of commercially available compounds that are expanded on an ongoing basis. This growing resource supports broad exploration of chemical space while retaining a practical path toward compounds that can be sourced or advanced for further investigation.
Commercial Compounds
Commercially available compounds are incorporated continuously, keeping the searchable collection current and connected to experimentally accessible chemistry.
Intelligent Search
AI-based search algorithms are developed to navigate very large molecular collections efficiently and identify relevant regions of chemical space for deeper scientific evaluation.
New Molecules
Generative AI research extends beyond existing databases by designing chemically realistic molecular candidates with laboratory synthesis as a core design consideration.
Rawan HPC
Molecular data are maintained locally within Rawan, UDD's high-performance computing and data infrastructure, supporting direct control of storage, processing, and computational access.
Focused Exploration
Large-scale data, intelligent search, and molecular generation work together to transform broad chemical possibility into focused candidates for subsequent scientific analysis.