Computer-Aided Design of Molecules with High Octane Rating and Octane Sensitivity through Graph-Based Machine Learning

Rittig, Jan Gerald; Ritzert, Martin; Schweidtmann, Artur M.; Winkler, Stefanie; Grohe, Martin; Mitsos, Alexander; Dahmen, Manuel

Conference Presentation

In: Fuel Science - From Production to Propulsion Aachen digital 2021-06-22 - 2021-06-24


  • The Fuel Science Center [080066]
  • Department of Computer Science [120000]
  • [122110]
  • Chair of Process Systems Engineering [416710]
  • UnRAVeL Research Training Group [080060]