Fig. 1: Curse of dimensionality in multi-step chemistry. | Nature Communications

Fig. 1: Curse of dimensionality in multi-step chemistry.

From: AlphaFlow: autonomous discovery and optimization of multi-step chemistry using a self-driven fluidic lab guided by reinforcement learning

Fig. 1

Illustration of the exponentially increasing complexity and required resources for a batch multi-step synthesis consisting of four possible step choices, up to 32 sequential steps. Reaction option estimates are based on four possible reagents, five possible volumes, and five possible reaction times. Volume estimates are based on 10 ml starting material and an additional 5 ml of reagent per step. Time estimates include preparation and sampling time and are based on 30 min to start each experiment and 5 min per addition of a reagent.

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