The electronic-structure informatics (ESI) descriptor set was applied to discover novel α-glucosidase inhibitors from a natural product (NP) database. The in silico screening was carried out through regression modelling for inhibitory activity (pIC50... read more
The International journal of eating disorders
Apr 6, 2026
OBJECTIVE: This Spotlight article explores opportunities for the use of generative artificial intelligence (AI) to support real-world eating disorders (ED) prevention policy advocacy campaigns. METHOD: Through two case studies, we illustrate ongoing ... read more
Journal of chemical information and modeling
Apr 6, 2026
Automated enzyme classification is hindered by high-dimensional feature spaces and extreme class imbalance. In this study, we introduce EC-Design, a machine learning framework that utilizes principal component analysis (PCA) and Fisher Score-based fe... read more
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