Additional file 2 of Crossover operators for molecular graphs with an application to virtual drug screening

Domschke, Nico; Schmidt, Bruno J.; Gatter, Thomas; Golnik, Richard; Eisenhuth, Paul; Liessmann, Fabian; Meiler, Jens; Stadler, Peter F.

doi:10.6084/m9.figshare.29346043.v1

Additional file 2 of Crossover operators for molecular graphs with an application to virtual drug screening

https://doi.org/10.6084/m9.figshare.29346043

journal contribution

posted on 2025-06-18, 03:27 authored by Nico Domschke, Bruno J. Schmidt, Thomas Gatter, Richard Golnik, Paul Eisenhuth, Fabian Liessmann, Jens Meiler, Peter F. Stadler

Supplementary file 2. Molecules used in the benchmarking section

Funding

Deutsche Forschungsgemeinschaft Novo Nordisk Foundation Center of Excellence for AI-research Center for Scalable Data Analytics and Artificial Intelligence Dresden/Leipzig Max Kade Foundation Bundesministerium für Bildung und Forschung NIH Alexander von Humboldt Foundation de.NBI Universität Leipzig (1039)

History

Related Materials

1.
DOI - Is supplement to Crossover operators for molecular graphs with an application to virtual drug screening

Usage metrics

Keywords

Crossover Graph theory Genetic algorithm Virtual screening 92E10 05C30 05C62 05C85 05C90

Licence

CC BY

Additional file 2 of Crossover operators for molecular graphs with an application to virtual drug screening

Funding

History

Related Materials

Usage metrics

Categories

Keywords

Licence

Exports