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

(2021)
Conference Presentation

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

Institutions

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