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EnSol: an environment-aware graph neural network for molecular solubility prediction

arXiv:2609.21151v1 Announce Type: new Abstract: Molecular solubility directly affects key aspects of molecular development such as reaction feasibility, formulation performance, separation efficiency, and solvent selection. However, experimental measurement across solutes, solvents, and temperature…

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  1. 2026-09-21 04:00 · arXiv cs.LG
    EnSol: an environment-aware graph neural network for molecular solubility prediction

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