Fig. 9: Sankey visualization of grouped polymer graphs from historical experimental data.
a Visualization for all polymer graphs in training data containing 6d. b Visualization of all polymer graphs in training data containing 6c, see Supplementary Fig. 27 for corresponding structures for the Sankey nodes. Black outlined, blue boxes are nodes within the Sankey visualization and light blue paths between nodes are the links. The width of the link corresponds to the number of materials in the historical data containing the corresponding edge in the polymer graph representation. In both a and b, numerical suffixes (e.g., −25 or −100) on the Sankey node label indicate the bin value for the experimentally assigned DPn of that element within the polymer graph. A value of 0 indicates a failed polymerization reaction (e.g., TMC-0). No suffix indicates the element was not a repeat unit (no self-referencing edge, such as MeO or BnOH) or where no DPn information was available (TMC). Source data for both plots are provided as a Source Data file.
