Automated Synthesis

Abstract

In a world where budgets and head counts are increasingly constrained and environmental impact scrutinized, new automated laboratory capabilities spanning from organic synthesis, analytical chemistry, through mechanical, chemical, and electrical engineering to robotics, computer science, and information technologies, are finding use as transformative methods for facilitating faster and better drug discovery operations as well as accelerated development of patient‐centric treatments and personalized medical applications. A significant challenge for life sciences researchers is gaining rapid access to probe molecules to query biological targets or pathways identified through various screening activities. Additional challenges include the ability to quickly and interactively optimize molecules identified as hits from screening activities. In the past two decades, the race has been on to build an automated laboratory to address gaps in organic synthesis and thereby supporting biological and drug discovery research by providing rapid access to a synthetic chemistry resource that is both cost‐effective and robust. This review focuses on concepts and approaches that have already been introduced in the automated synthesis world and also innovative technologies that could radically change small and large molecules research and, thus, have far‐reaching implications in the intelligent automation drug discovery world in the near future.

Exploration of Ultralarge Compound Collections for Drug Discovery

“…The paradigm behind the L2S2 next-generation drug discovery platform is "idea to data". 136,137 The major missing link in closing the drug discovery loop is moving from a theoretical synthesis route to an actionable synthesis execution recipe: building block IDs and the source, reaction conditions, detailed synthesis instructions (i.e., a procedure or recipe), and a complete execution order for automated systems (for expert review, not execution). Factors to consider are the procedure (from an electronic laboratory notebook, for example), reaction conditions, and route instantiation (translation to a machine-ready synthesis workflow).…”

“…The concept behind the current laboratory automation paradigm is “idea to molecule”. The paradigm behind the L2S2 next-generation drug discovery platform is “idea to data”. , …”