AllChem: generating and searching 1020 synthetically accessible structures

AllChem is a system that is intended to make practical the generation and searching of an unprecedentedly vast number (∼1020) of synthetically accessible and medicinally relevant structures. Also, by providing possible synthetic routes to a structure along with its design rationale, AllChem encourages simultaneous consideration of both costs and benefits during each lead discovery and optimization decision, thereby promising to be effective with synthetic chemists among its primary users. AllChem is still under intensive development so the following initial description necessarily has more the character of an interim progress report than of a finished research publication.

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