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.

Orion® Web-Based Cloud Platform

All you need is a web browser. No hassle with hardware maintenance or data backups. Convenient access to on-demand compute resource. Very flexible.

Desktop and Linux Applications

When you prefer software applications on your local hardware. We support Linux, Windows, or macOS-based systems. Your choice.

Development Toolkits

Creating your own modeling and cheminformatics custom solutions and services was never easier. Get creative.

Consulting Services

Leverage our scientific team’s expertise with many decades of experience in pharmaceutical research. Let us solve your most challenging therapeutic discovery needs. Together.

RESOURCES