Trusted Science. Delivered the Way You Need.
Ligand-Based Design
Identify and refine promising candidates with powerful ligand-based shape and electrostatic methods that researchers have trusted for more than 20 years. OpenEye delivers easy-to-use tools with remarkable speed.
Trusted Science.
2D Ligand-Based Methods
- Property Calculation and Filter (FILTER)
- Estimate pKa Value and Protonation (pKa Prospector)
- Tautomer / Protomer Enumeration & Charge Assignment (QUAPAC)
3D Ligand-Based Methods
- Rapid and Accurate Conformer Generation (OMEGA)
- Shape and Chemical Features Similarity Search (ROCS®, FastROCS™, FastROCS Plus)
- Fragment Replacement for Molecular Design (BROOD)
- Electrostatic Similarity for Lead-hopping (EON)
- 3D Quantitative Structure–Activity Relationship (3D-QSAR)
Delivered the Way You Need.
Resources
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Event
miniCUP San Diego 2024
miniCUP San Diego 2024 will be held on October 22nd, 2024 miniCUP San Diego is a single-day in-person gathering that will provide the opportunity to hear presentations from OpenEye and industry speakers, as well as learn about the latest scientific innovations and recent updates to the Orion® molecular design platform and our applications and toolkits. Plus stay for robust discussion at a cocktail reception following the event.
Register now
Event
miniCUP San Francisco 2024
miniCUP San Francisco 2024 will be held on October 24th, 2024 miniCUP San Francisco is a single-day in-person gathering that will provide the opportunity to hear presentations from OpenEye and industry speakers, as well as learn about the latest scientific innovations and recent updates to the Orion® molecular design platform and our applications and toolkits. Plus stay for robust discussion at a cocktail reception following the event.
Register now