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Klaus Weinbauer

2 results in Authors: Klaus Weinbauer

Theoretical and Computational Chemistry

Reaction Rebalancing: A Novel Approach to Curating Reaction Databases

Tieu-Long Phan, Klaus Weinbauer, Thomas Gärtner, Daniel Merkle, Jakob L. Andersen, Rolf Fagerberg, Peter F. Stadler

Version 1 posted 22 March 2024

358

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1

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Theoretical and Computational Chemistry

SynTemp: Efficient Extraction of Graph-Based Reaction Rules from Large-Scale Reaction Databases

Tieu-Long Phan, Klaus Weinbauer, Marcos E. Gonzalez Laffitte, Yingjie Pan, Daniel Merkle, Jakob L. Andersen, Rolf Fagerberg, Christoph Flamm, Peter F. Stadler

Version 1 posted 30 September 2024

145

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