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Fig. 6 | Journal of Cheminformatics

Fig. 6

From: CIME4R: Exploring iterative, AI-guided chemical reaction optimization campaigns in their parameter space

Fig. 6

Parallel projection views of the Buchwald-Hartwig reaction space. Each parallel view shows the same projection of the parameter space, but with a different color encoding. The left projection view encodes the three compounds of aryl halide. The view in the center visualizes the measured yield, and the right projection encodes the four ligand compounds. The chemists used the projection view in combination with the summary view—which shows summary statistics of currently selected experiments—to comprehend the parameter space and the clusters formed during the projection (T1)

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