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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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Moayad Alnammi

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Open access Sep 2026

XGBoost-Based Prediction of pKa Values from Molecular Descriptors

The acid dissociation constant (pKa) is a fundamental physicochemical property that governs molecular ionization, solubility, and bioavailability, rendering its accurate prediction essential in drug design and environmental toxicology. This study entailed a systematic comparison of molecular descriptor representations...

Fahad Ali Atwi, Moayad Alnammi, Mohammed F. Alkhater · 0 citations

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