Interpreting Graph Neural Networks with Myerson Values for Cheminformatics Approaches
Homberg, Samuel K.R.; Modlich, Malte L.; Becker, Marlon; Menke, Janosch; Morris, Garrett M.; Risse, Benjamin; Koch, Oliver
Abstract in edited proceedings (conference) | Peer reviewedDetails about the publication
Editors: Walter Senn, Marcello Sanguineti, Ausra Saudargiene, Igor V. Tetko, Alessandro E. P. Villa, Viktor Jirsa, Yoshua Bengio
Book title: Artificial Neural Networks and Machine Learning. ICANN 2025 International Workshops and Special Sessions
Page range: 232-234
Publisher: Springer Nature
Place of publication: LNCS 16072
Title of series: Artificial Neural Networks and Machine Learning - ICANN 2025 International Workshops and Special Sessions (ISSN: 0302-9743)
Volume of series: 5
Status: Published
Release year: 2025
Language in which the publication is written: English
Conference: International Conference on Artificial Neural Networks (ICANN), 09.09.-.12.09.2025, Kaunas, Lithuania
ISBN: 978-3-032-04551-5
Keywords: artificial intelligence; explainable AI; chemical informatics; drug discovery
Authors from the University of Münster
| Becker, Marlon Marijn | Professorship of Geoinformatics for Sustainable Development (Prof. Risse) |
| Homberg, Samuel Kurt Robert | Professorship of computational drug research (Prof. Koch) |
| Koch, Oliver | Professorship of computational drug research (Prof. Koch) |
| Menke, Janosch | Institute for Pharmaceutical and Medical Chemistry |
| Modlich, Malte Laurids | Professorship of Geoinformatics for Sustainable Development (Prof. Risse) |
| Risse, Benjamin | Professorship of Geoinformatics for Sustainable Development (Prof. Risse) |