Author

Wael A. Mahdi

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Open access Jul 2026

Domain-generalized representation learning for cross-chemical-family toxicity prediction

Traditional QSAR toxicity models are, in general, assessed with random train-test splits where structural overlaps between train and test compounds are allowed. This usually results in an inflated predictive performance. Therefore, this paper looks at the problem of toxicity prediction under the structural distribution...

Wael A. Mahdi, Adel Alhowyan, A. Obaidullah · Scientific Reports · 0 citations

#artificial intelligence Open access Sep 2026

Thermodynamic–molecular interdependencies and causal determinants governing pharmaceutical solubility in SC-CO2 systems

Accurate prediction of pharmaceutical solubility in supercritical CO₂ (SC-CO₂) systems is critical for green drug formulation and process intensification, yet existing machine learning studies largely prioritize predictive accuracy while overlooking mechanistic interpretability and causal understanding. This study pr...

Wael A. Mahdi, Adel Alhowyan, A. Obaidullah · Scientific Reports · 0 citations