Efficient implementation and application of the artificial bee colony algorithm to low-dimensional optimization problems. - Guido Falk von Rudorff; Christoph Wehmeyer; Daniel Sebastiani (Comput. Phys. Commun., 2014)

Conformational Space of a Polyphilic Molecule with a Fluorophilic Side Chain Integrated in a DPPC Bilayer. - Guido Falk von Rudorff; Tobias Watermann; Xiangyang Guo; Daniel Sebastiani (J. Comput. Chem., 2017)

Machine learning the computational cost of quantum chemistry. - Stefan N. Heinen; Max Schwilk; Guido Falk von Rudorff; O. Anatole von Lilienfeld (Mach. Learn. Sci. Technol., 2020)

Thousands of reactants and transition states for competing E2 and S$_ mathrm{N}$2 reactions. - Guido Falk von Rudorff; Stefan N. Heinen; Marco Bragato; O. Anatole von Lilienfeld (Mach. Learn. Sci. Technol., 2020)

SELFIES and the future of molecular string representations. - Mario Krenn; Qianxiang Ai; Senja Barthel; Nessa Carson; Angelo Frei; Nathan C. Frey; Pascal Friederich; Théophile Gaudin; Alberto Alexander Gayle; Kevin Maik Jablonka; Rafael F. Lameiro; Dominik Lemm; et al. (Patterns, 2022)

Encrypted machine learning of molecular quantum properties. - Jan Weinreich; Guido Falk von Rudorff; O. Anatole von Lilienfeld (Mach. Learn. Sci. Technol., 2023)

Improved decision making with similarity based machine learning: applications in chemistry. - Dominik Lemm; Guido Falk von Rudorff; O. Anatole von Lilienfeld (Mach. Learn. Sci. Technol., 2023)