3/17/2024 0 Comments Chem c3000 make iodine![]() ![]() The number of small organic molecules reported in the literature is >75 million 1, yet this only represents an infinitesimal fraction of the estimated 10 60 molecules available to search in chemical space 2, 3. We show the RSI correlates with reactivity and is able to search chemical space using the most reactive pathways. This allows the automatic navigation of a chemical network, leading to previously unreported molecules while needing only to do a fraction of the total possible reactions without any prior knowledge of the chemistry. ![]() The robotic system combines chemical handling, in-line spectroscopy and real-time feedback and analysis with an algorithm that is able to distinguish and select the most reactive pathways, generating a reaction selection index (RSI) without need for separate work-up or purification steps. Herein we present a system that can autonomously evaluate chemical reactivity within a network of 64 possible reaction combinations and aims for new reactivity, rather than a predefined set of targets. The exploration of chemical space for new reactivity, reactions and molecules is limited by the need for separate work-up-separation steps searching for molecules rather than reactivity. ![]()
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