OpenEye Scientific is now part of Cadence

OpenEye Scientific Incorporates Mcule Compound Library in Orion™ Platform

OpenEye Scientific Incorporates Mcule Compound Library in Orion™ Platform

Orion™ Molecular Design Platform Helps Pharmaceutical, Biotechnology Companies Better Identify, Optimize, and Order Hits and Leads from Mcule’s database

SANTA FE, N.M., & PALO ALTO, Calif. –  March 18, 2021 – OpenEye Scientific and Mcule – a leading online marketplace for drug discovery – today announced that OpenEye’s Orion™ molecular design platform now can greatly enhance the ability to search and screen molecules through Mcule’s purchasable compound library.


In drug discovery, pharmaceutical and biotechnology companies may find large-scale virtual screening (LSVS) of large numbers of molecules to be computationally demanding. These companies also may find it challenging to identify sufficiently diverse compound databases.

OpenEye’s Orion molecular design platform uses the power of hundreds of thousands of CPUs at Amazon Web Services to provide fault-tolerant computational capacity required to meet high LSVS demands. Also, Mcule’s large and diverse library of purchasable compounds, now available in Orion, can help provide faster and more efficient screening of these molecules, which can be easily purchased afterwards.

“This collaboration between Mcule and OpenEye Scientific is a win-win for everyone involved,” said Matthew Geballe, Vice President of Product at OpenEye Scientific. “OpenEye customers can not only screen 2D and 3D molecules from Mcule’s databases at high speed due to Orion’s powerful search methods and computational resources, but they’re also able to identify more hits and leads and get these compounds synthesized and delivered from Mcule in record time.” 

Mcule developed its ULTIMATE database – a high-quality purchasable compound library – in collaboration with major pharmaceutical partners. Their ULTIMATE database currently contains more than 120 million molecules, 96% of which are not available from other marketplaces.

“We are excited to collaborate with OpenEye Scientific,” said Robert Kiss, CEO of Mcule. “They have sophisticated tools and sufficient computational power to help scientists select the right compounds from large databases. The required samples can then be conveniently sourced in an assay-ready format via Mcule’s aggregation services.”