OpenEye Scientific Incorporates Mcule Compound Library in Orion™ Platform to Accelerate Screening of Molecules


SANTA FE, N.M., and PALO ALTO, Calif., March 18, 2021 /PRNewswire/ -- 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."

About Mcule
Mcule operates chemical marketplaces for drug discovery with services based around small-molecule compound sourcing. While the traditional Mcule database aggregates a wide variety of supplier catalogs, Mcule ULTIMATE database contains novel, synthetically accessible compounds. Mcule SynthAgora is a custom synthesis marketplace that enables our clients to receive offers conveniently for structures that are not available in any catalogs in the world. Mcule also provides solutions for sample preparation, solubility inspection, and independent QC analysis.

About OpenEye Scientific
OpenEye Scientific is an industry leader in computational molecular design, based on decades of delivering rapid, robust, and scalable software, toolkits, and technology and design services. Our scientific, physics-based approach to molecular design historically focused on molecular shape and electrostatic potential to inform and guide molecular discovery and optimization. OpenEye now has integrated its applications and toolkits into Orion,™ the only cloud-native, fully integrated molecular design platform. Combining unlimited computation and storage with powerful tools for data sharing, visualization and analysis in an open development platform, Orion offers unprecedented capabilities for the advancement of pharmaceuticals, biologics, agrochemicals, and flavors and fragrances. Founded in 1997, OpenEye is a privately held company headquartered in Santa Fe, N.M., with offices in Boston, Mass.; Cologne, Germany; and Tokyo, Japan. For more information, go to

Marshall Poindexter
OpenEye Scientific

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SOURCE OpenEye Scientific


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