Cadence Molecular Sciences (OpenEye) has partnered with Synple Chem to bring the virtual library from Synple 4.0 to Orion®, a Software-as-a-Service (SaaS) platform that is integrated with Amazon Web Services (AWS) Cloud environment to power rapid computational design of molecules.
Recently acquired by eMolecules, Synple’s virtual library is a customer-requested ultra-large virtual library focused on alleviating the challenge of synthesizability by ensuring that any hits identified can be easily prepared by either submitting a request to Synple Chem or using their cartridge-based tabletop synthesis device, Synple 2.
Synple 2
The Synple 4.0 library has been divided into three segments to enable specific molecular weight portions of the library:
- 600-700MW (1.1B molecules)
- 500-600MW (973M)
- <500MW (350M)
Synple Selector
Synple 4.0 joins the collection of vendor libraries available on Orion. Additional Orion offerings span from ligand-based or structure-based virtual screenings, molecular dynamics (MD) simulations, free energy predictions, quantum mechanics calculations, sequence analyses, and more.
To gain access to the Orion platform with Synple 4.0, please contact sales@eyesopen.com.