New Paper: Visualizing Generic Reaction Patterns
30. September 2022
Foto: Uschi Dolfus
Computer-readable generic reaction schemes are a fundamental technique in the in silico drug design process. Due to their complexity and the richness of features represented in a single line, they can be challenging to work with even for experienced users. In our most recent publication first-authored by Uschi Dolfus we present a method to generate a visualization of generic reaction patterns written as Reaction SMILES, Reaction SMARTS or in the SMIRKS language. The corresponding cheminformatics tool named ReactonViewer was already applied to visualize two datasets of reaction schemes for organic synthesis, taken from recent publications, which can be found here . All further details can be found here . ReactionViewer is part of our NAOMI Software Suite (https://uhh.de/naomi) available for free for academic use. In addition, the service is already integrated at our web frontend https://smarts.plus.