AMRI Leverages Instant JChem for Compound Libraries

presentation · 5 years ago
by Michelle DelleFave (AMRI)
Instant JChem Markush enumeration Reactor

AMRI recently launched a Compound Library Consortium (CLC), to deliver 70,000 compounds within 2.5 years for three different partners. AMRI selected Instant JChem (IJC) from ChemAxon to manage the data associated with preparation and deliverables for the CLC. In library preparation there exists two cycles. Firstly is the development of which compounds should be prepared to make up the library. This cycle is predominantly a virtual/paper process. Only limited laboratory chemistry has been completed to support the Scaffold/Template/Compound selection. Once the virtual library has been accepted, physical process starts and the preparation begins. Based on this flow, the security of IJC is organized into groups with specific permissions leveraging LDAP authentication. Form controls have been incorporated to prevent users from inadvertently changing or viewing content. As an additional control, IJC uses several temporary or staging tables before committing the data to the overall database. AMRI has been able to successfully utilize this application to deliver >10,000 compounds to each of the CLC partners’ to date.

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