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International Journal of Computational Biology and Drug Design|June 1, 2014
Generic strategies for chemical space explorationJakob L Andersen, Christoph Flamm, Daniel Merkle, et al.Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|November 15, 2017
An intermediate level of abstraction for computational systems chemistryJakob L Andersen, Christoph Flamm, Daniel Merkle, et al.IEEE/ACM Transactions on Computational Biology and Bioinformatics|July 11, 2018
Chemical Transformation Motifs-Modelling Pathways as Integer HyperflowsJakob L Andersen, Christoph Flamm, Daniel Merkle, et al.Journal of Computational Biology : a Journal of Computational Molecular Cell Biology|February 3, 2025
Pathway Realizability in Chemical NetworksJakob L Andersen, Sissel Banke, Rolf Fagerberg, et al.Journal of Cheminformatics|April 7, 2018
Finding the K best synthesis plansRolf Fagerberg, Christoph Flamm, Rojin Kianian, et al.IEEE/ACM Transactions on Computational Biology and Bioinformatics|August 6, 2020
Generic Context-Aware Group ContributionsChristoph Flamm, Marc Hellmuth, Daniel Merkle, et al.Journal of Chemical Information and Modeling|February 28, 2025
SynTemp: Efficient Extraction of Graph-Based Reaction Rules from Large-Scale Reaction DatabasesTieu-Long Phan, Klaus Weinbauer, Marcos E González Laffitte, et al.Journal of Cheminformatics|July 19, 2024
Reaction rebalancing: a novel approach to curating reaction databasesTieu-Long Phan, Klaus Weinbauer, Thomas Gärtner, et al.Journal of Cheminformatics|September 19, 2022
What makes a reaction network "chemical"?Stefan Müller, Christoph Flamm, Peter F StadlerJournal of Chemical Information and Computer Sciences|July 23, 2003
A graph-based toy model of chemistryGil Benkö, Christoph Flamm, Peter F StadlerPageof 50