This application note, part of the Medicinal Chemistry Applications Notebook, describes an approach to enhancing throughput of physicochemical property profiling in drug discovery by using MassLynx software's ProfileLynx Application Manager, a fully automated software package that allows for the design of experiments, data acquisition, and data processing as well as report generation. To demonstrate the use of this software package, we have developed an automated LC/MS/MS protocol using the ACQUITY TQD with the TQ Detector for data generation. The data acquired from multiple assays was processed by a single processing method, all in an automated fashion. As a result, the physicochemical profiling process was significantly simplified and throughput increased.
For more information about LC and MS for confirming the identity and purity of drug discovery compounds to support high throughput screening (HTS), optimization, and physicochemical property profiling, download the Waters Medicinal Chemistry Applications Book.