OpenEye Scientific
OpenEye Scientific, now part of Cadence Solutions, provides cloud-based computational chemistry software, toolkits, and drug discovery services for molecular design and virtual screening.
About OpenEye Scientific
OpenEye Scientific, now part of Cadence Solutions, provides cloud-based computational chemistry software, toolkits, and drug discovery services for molecular design and virtual screening.
Products
GPU-accelerated 3D shape and chemical feature similarity search for virtual screening, lead hopping, and shape clustering in drug discovery.
Turnkey solution integrating 3D ligand- and structure-based screening into a streamlined automated workflow.
What customers say
“Our prospective study describes how conceptually simple shape-matching approaches can identify potent and selective compounds by searching ultralarge virtual libraries, demonstrating the applicability of such workflows and their importance in early drug discovery. -- Petrovic et al. (JCIM, 2022)”
- FastROCS
OpenEye reports that UCSF and Relay Therapeutics developed FrankenROCS using FastROCS and active learning to explore the 22-billion-molecule Enamine REAL database. The workflow identified submicromolar SARS-CoV-2…
Case study
Security and compliance
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