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Author

D. Horvath

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Aug 2026

Leveraging the Condensed Graph of Reaction for Clustering Retrosynthetic Pathways.

Modern retrosynthetic tools can propose hundreds of alternative pathways for a single target, making it challenging to effectively explore and navigate the resulting route space. We present a CGR-based framework for the analysis and clustering of synthetic routes that integrates both target-centered and all-species-cen...

Almaz Gilmullin, T. Akhmetshin, D. Zankov et al. · 0 citations

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