Fig. 6: Bikaverin case study.
From: DyeDactic workflow to predict halochromism of biosynthetic colourants
A Schematic DORAnet workflow demonstrates the generation of bikaverin derivatives with predicted colour using the developed ML model. B A subset of bikaverin derivatives with the lowest calculated absorption energies, colour samples below each structure are based on quantum chemical calculations. The dashed-line box highlights the most thermodynamically stable ethanolamino-substituted bikaverin. C, D: colour vs. pH for bikaverin and its most stable amino derivative, respectively.
