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LCC and OpenEye Announce Collaboration

LCC and OpenEye, Cadence Molecular Sciences are proud to announce the launch of a drug-like virtual library of >1 billion compounds that will be available in OpenEye’s cloud-native Orion® molecular design platform.

LCC is an established, chemical technology innovator, on a mission to accelerate the discovery and development of high-quality drugs. LCC provide expanded access to 3D chemical space to support orthogonal hit-ID (DEL, FBLD, VLS), hit optimisation using our parallel synthesis laboratory, and personalised support using our design and computational team to expedite targeted chemical space exploration.

OpenEye, Cadence Molecular Sciences – a business unit of Cadence Design Systems – is an industry leader in computational molecular design through rapid, robust, and scalable software, consulting services, and Orion, the only cloud-native fully integrated software-as-a-service molecular design and simulation platform. Using Orion removes the requirement to run and maintain expensive infrastructure hardware. With Orion, you can access OpenEye computational tools scientists have trusted for more than 20 years on the cloud.

Why Screen this Virtual Library in OpenEye’s Orion?

  • LCC’s Ultra-Large Virtual Library (ULVL) with >1 billion Ro5 compounds is synthetically tractable and of the highest quality e.g., providing accurate conformational sampling; novel, drug-like properties; and diversity.
  • LCC’s Ultra-Large VL is chirally pure and can be screened in 3D on the Orion cloud-based platform. Traditional library enumeration can scramble stereocenters. However, LCC’s pioneering approach will allow you to virtually screen the ultra large virtual library on OpenEye’s Orion platform while retaining chirality.
  • Ongoing validation of new fragments and chemistries will provide access to expanding chemical space.

The combination of LCC and OpenEye will allow you to rapidly generate large volumes of high-quality data, helping you make better decisions, train machine learning (ML) models, and accelerate DMTA cycles.

Through this collaboration, you can use LCC’s library on OpenEye’s Orion to extract the full power of its capabilities to screen in 3D.

How can we help you?




LCC’s Head of Business Development, Tony Huxley:

For the first time, LCC’s collaboration with OpenEye will enable ORION™ users to virtually screen LCC’s 1bn virtual library - with chirality retained. This pioneering approach gives researchers the opportunity to screen virtual 3D compounds and then rapidly convert to actual pure chiral compounds - synthesised via LCC’s parallel synthesis lab. This will support LCC’s mission to accelerate the discovery and development of high-quality therapies through expanded access to 3D chemical space.

OpenEye’s Head of Product, Ashutosh Jogalekar:

Providing access for OpenEye’s Orion customers to Liverpool ChiroChem’s chirally pure >1 billion virtual library is a game-changer. It will enable them to quickly virtually screen large amounts of compounds and have them rapidly synthesized by LCC, speeding-up the drug discovery process.