Results 231 to 240 of about 94,864 (281)

Machine Learning Prediction of Laccase‐Catalyzed Oxidation of Aromatic Compounds Using Curated Enzyme‐Specific Datasets

open access: yesJournal of Computational Chemistry, Volume 47, Issue 7, March 15, 2026.
We curate laccase‐substrate datasets and train five classifiers, from regularized logistic regression to tree‐based models and ChemBERTa, to predict whether a substrate will be oxidized. Feature importance and attention maps projected onto molecular substructures make the predictions interpretable and useful for pre‐screening before the bench ...
Yulia Kulagina   +3 more
wiley   +1 more source

Home - About - Disclaimer - Privacy