Software

Closed Loop Transfer

AI-guided method for molecule optimization campaigns.

Closed-Loop Transfer (CLT) is an AI-guided method for optimization campaigns. It consists of three phases: (1) Bayesian optimization in a closed-loop process with automated modular small molecule synthesis and multidimensional characterization; (2) comprehensive whole molecule DFT calculations and feature selection with physics-informed supervised learning models to extract physical insights; and (3) statistical validation of the physical insights and understanding across the entire chemical search space.

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