Data Set for the Journal Article "Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks"

This data archive contains all data newly created in the following publication: Charlotte H. Müller, Miguel Steiner, Jan P. Unsleber, Thomas Weymuth, Moritz Bensberg, Katja-Sophia Csizi, Maximilian Mörchen, Paul L. Türtscher, and Markus Reiher, "Heron: Visualizing andControlling Chemical Reaction Explorations and Networks", in preparation. The directory contents are as follows: steered_eschenmoser.tar.xz: Dump of the database created during the steered exploration steered_exploration_protocol_chemoton_3.1.json: Protocol used for the steered exploration