
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)


Delivered the Way You Need.
RESOURCES
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On-Demand Webinar
Webinar: What’s New in 2022.2 Applications/Toolkits Release
Join us for the miniWebinar "What’s New in 2022.2 …
Event
CUP XXII - Santa Fe | March 14-16, 2023
CUP XXII will be held March 14-16, 2023 at La …
Event
2022 Virtual miniCUP | Nov. 17, 2022
2022 Virtual miniCUP | Nov. 17, 2022 OpenEye, …