Welcome!

OpenEye provides software to the pharmaceutical industry for molecular modeling and cheminformatics. It has done so since 1997 in its continuing mission to provide novel software, new science and better business practices to the industry. Central to our approach is the importance of shape and electrostatics as primary variables of molecular description, platform-independent code for high-throughput 2D and 3D modeling, and a preference for the rigorous rather than the ad hoc. We invite you to learn more about us and whether we can contribute to your endeavour.

Anthony Nicholls, Ph.D.
CEO and Founder

Examples of OpenEye Shape Technology

Mouseover the image to see queries and subsequent hits from ROCS.
1EZQ

"Such goals serve to best organise and measure our energies and skills. The Moon and the planets are there - and new hopes for knowledge and peace are there as well" - JFK

News and Events

OMEGA Multi-Conformer Databases Now Compatible with MOE

Noesis To Build Upon OpenEye's Cheminformatics Toolkit OEChem

Bio-IT World Reports On OpenEye's 'SAMPL' Blind Challenge in Its May Issue

CHEMSPIDER.COM to Incorporate More OpenEye Software

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Featured Products

VIDA & VIVANT

Molecular modeling is more than just generating numbers. It is about understanding, rationalizing, predicting, and, most importantly, communicating results. VIDA creates visual content by allowing the modeler to make live, interactive 3D views, annotated with important details, and organized in preset, "bookmarked" scenes. VIVANT "publishes" this content in a variety of media, including PowerPoint^® , Word^® and web pages. By lowering the barriers to communication and providing cutting edge graphics and science to all, VIDA and VIVANT bring the big picture home.

BROOD

Bioisosteres are an essential tool for medicinal chemistry and lead optimization. BROOD offers modelers and chemists the ability to examine the 3D shape, chemistry and electrostatic similarity of a fragment of interest using a database of nearly 200,000 potential bioisosteric fragments. BROOD melds the best of classical medicinal chemistry approaches with OpenEye's innovative shape technology.

AFITT

AFITT includes both fully automated and interactive solutions for real-space fitting of ligands in Protein-Ligand complexes. AFITT combines multiple leading-edge technologies for modeling small molecules to provide a rapid and robust method for solving crystallographic ligand structures.