New Apps for Small Molecule Discovery

Increase Functionality from Design to Downstream Testing

The Drug Discovery Solution for the Platform for Science is expanding, with the release of three new applications to the Platform for Science Marketplace. This set of applications delivers new functionality which can be leveraged throughout small molecule discovery workflows. Users can now request the synthesis of compounds, verify structural information via NMR analysis, and generate enumerated libraries based off a given reaction scheme. These apps facilitate a quicker turnaround time from design to downstream testing.

New Small Molecule Applications

The Small Molecule Requesting Application gives users the ability to create synthesis requests for a single compound or a batch of compounds. Requests can be used for both in-house synthesis or external use via CROs. These requests are tracked by status on the dashboard to allow a comprehensive view of all synthesis requests across the organization. Additionally, functions are available on the request record to easily register small molecules which links the request to the sample to allow a full traceability in the workflow.

Confirming structural information of small molecules is paramount for the drug discovery process. The NMR Analysis Application delivers a gateway to capture NMR results and have the details automatically update the small molecule record. The user can attach the NMR as a thumbnail or file, while also tracking shifts and other information regarding the run. This application uses the same requesting framework as the Small Molecule Requesting Application above. Users can submit NMR requests, both internal and external, and track their statuses on the dashboards.

Enumerating chemical libraries is a fundamental process in the chemistry field which allows massive generation of samples to be created based off reactants and a reaction scheme. The new Library Enumeration Application gives chemists the ability to automatically create these libraries in a single step. This combichem functionality allows the user to govern the rules of the reaction scheme and then use the proper reactants to build libraries.

Small Molecule Discovery Apps in the Lab

These three new applications enhance the drug discovery portfolio available in the Marketplace by providing tools to expedite synthesis and define lead compounds for trials. The new applications supplement existing apps such as Small Molecule Registration, Chemical Registration, and others in our Drug Discovery Solution. Combine all these apps together to provide a full solution from sample discovery and theory to defining lead compounds.