Skip to main content
Fig. 3 | Journal of Cheminformatics

Fig. 3

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

Fig. 3

The CIME4R’s user interface showing the (A) projection view, which gives an overview of the reaction-parameter space, (B) aggregation settings side panel, where users can adjust the visual encodings of the hexagonal bins in the projection view, (C) tabular view with LineUp, which gives details about each experiment, (D) temporal columns and (E) summaries in LineUp, and (F) summary view, which shows similarities and differences of sets of experiments. This example shows the results of Bayesian RO of a deoxyfluorination reaction examined by Shields et al. [5]

Back to article page