Chemistry-centric explanation of machine learning models
Raquel Rodríguez-Pérez,
Jürgen Bajorath
Affiliations
Raquel Rodríguez-Pérez
Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Friedrich-Hirzebruch-Allee 6, Bonn D-53115, Germany
Jürgen Bajorath
Corresponding author.; Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Friedrich-Hirzebruch-Allee 6, Bonn D-53115, Germany
