Author

Dongda Zhang

3 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. · Journal of Chemical Informat... · 0 citations

Open access Sep 2026

Enabling Bioprocess Upscaling Prediction Through Hybrid Modelling and Transfer Learning Under Small-Data Scenarios.

Accurate prediction of bioprocess scale-up is critical for accelerating the deployment of novel and sustainable biomanufacturing systems. However, this remains challenging as multi-scale data is expensive to generate and mechanistic understanding is often incomplete, leading upscaling decisions to rely heavily on empir...

Harvey Al-Ramadhan, Fernando Vega-Ramon, Ke-Ju Jing et al. · Biotechnology and Bioenginee... · 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. · Biotechnology and Bioenginee... · 0 citations