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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

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J. A. P. Coutinho

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#graph neural networks Open access Oct 2026

What's the best predictive model for ionic liquid screening? COSMO-SAC, COSMO-RS and GNN

Screening ionic liquids (ILs) is a ranking problem before it is a prediction problem: among millions of cation–anion combinations, what matters is which candidates reach the laboratory, not the value assigned to each. Models are nevertheless compared almost exclusively on absolute error. We benchmark six physics-based...

M. L. Alcantara, E. T. Souza Jr., J. G. Rittig et al. · 0 citations

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