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Author

Alexander W. Rogers

2 papers indexed here

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Sep 2026

Graph-to-Graph Inverse Design of Surfactants under Multiobjective and Structural Constraints

Rapid, sustainable redesign of large functional molecules requires efficient exploration of vast chemical spaces subject to multiple properties and constraints. Graph neural networks have shown strong performance in molecular property prediction, yet their use for inverse design remains relatively underexplored. Mean...

Alexander W. Rogers, Ruediger Zillmer, A. Lane et al. · 0 citations
Open access Aug 2026

Automated Data-Efficient Symbolic Regression for Interpretable Bioprocess Model Development.

The results demonstrated that independently identifying individual kinetic terms was crucial for recovering the ground-truth model, while refining SR-generated candidates through a novel local iterative structural correction strategy significantly improved convergence to the true kinetic expressions, surpassing model-b...

Luca Riezzo, Alexander W. Rogers, Harry Kay et al. · 0 citations

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