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Sponsored AI Networking Cookbook: Practical recipes for AI-assisted network automation and development AI Networking Cookbook: Practical recipes for AI-assisted network automation and development

Author

A. Varnek

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Open access Aug 2026

Leveraging the Condensed Graph of Reaction for Clustering Retrosynthetic Pathways.

This work proposes a two-level clustering strategy in which routes are first grouped by shared SBPs, ensuring high interpretability based on key retrosynthetic disconnections, and then further differentiated using RouteCGR similarity to capture variations in starting materials and auxiliary transformations.

Almaz Gilmullin, T. Akhmetshin, D. Zankov et al. · 0 citations
Review Jul 2026

In Silico ADMET: From Current Practices to Novel Profilers.

This study highlights the utility of large-scale MTL for pharmacokinetics profiling and contributes practical tools and data sets for the community, and reports a unified ChemProp-based MTL model capable of handling hundreds of continuous tasks simultaneously, which has practical advantages for model deployment and mai...

P. Llompart, C. Minoletti, G. Marcou et al. · 0 citations

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