Lilly has designed and constructed a unique synthesis lab directed at automating the work a medicinal chemist does at the bench. The system is far more than just bench equipment tied together via robotics; an extensive infrastructure of software, databases, and websites has been built to facilitate interactively using the system both locally and remotely from around the world.A graphical, object oriented, reaction workflow editor allows the chemist to construct reaction workflow templates. Experiment information from an electronic notebook (ELN) is then combined with the workflow in an experiment editor to facilitate creating a fully parameterized submission. The experiment is then submitted via network to the experiment manager.When an experiment begins running, the instrument controller software takes over. Experiment files are updated as the reactions progress with extensive results and data presented back to the user in near real time. The instrument controller executes each discrete task independently of other tasks as defined by task connectivity pattern which can vary from very simple linear paths to divergent or distinctly separated paths. The timing and execution of tasks is centrally governed by a complex prioritization logic that is designed to maximize throughput and resource utilization.Communication with the submitting chemist is critical. Three different systems are in place to facilitate this. A piece of software that each chemist can run, is tied into the experiment manager and allows remote viewing of experiment reaction progress, status, and results of completed tasks. In addition, the system provides e-mail updates of experiment status. The third communication component is a 32 camera video monitoring system that any chemist can remotely access at any time and view what is taking place on the system.

Remotely guided chemical synthesis system for discovery chemistry

246th National Meeting (2013)

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