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T. Hofstetter

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Open access Sep 2026

VizChemoton: Visualization of Quantum Chemical Reaction Networks and Their Cheminformatics Features

Automated explorations of chemical reaction networks (CRNs) guided by quantum chemistry (QC) calculations are undergoing rapid development that enables numerous applications. However, CRNs are accessible primarily through specialized quantum chemistry software without interface for cheminformatic exploitation of the ge...

E. Petrus, Diego Garay-Ruiz, Thomas Weymuth et al. · 0 citations

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