Tango* uses a computed molecular similarity reward (TANGO) inside Retro* to solve starting material-constrained retrosynthesis with higher success and fewer expansions than neural value function baselines.
Computer-assisted retrosynthesis based on molecular similarity
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Tango*: Constrained synthesis planning using chemically informed value functions
Tango* uses a computed molecular similarity reward (TANGO) inside Retro* to solve starting material-constrained retrosynthesis with higher success and fewer expansions than neural value function baselines.