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
UNLABELLED: High-channel-density (HCD) electroencephalography (EEG) enables fine-grained neural sensing but is constrained by high hardware costs, spatial complexity, and limited portability. This study developed a deep learning-based method to recon... read more
Type 2 diabetes case reports describe complex clinical courses, but their timelines are often expressed in language that is difficult to reuse in longitudinal modeling. To address this gap, we developed a textual time-series corpus of 136 PubMed Open... read more
Collagen organisation within the tumour microenvironment plays a critical role in tumour progression and has emerged as an important structural biomarker in cancer. Second Harmonic Generation (SHG) microscopy enables label-free visualisation and quan... read more
Deep learning models utilizing longitudinal healthcare data have significantly advanced epidemiological research. However, contemporary transformer-based models increasingly rely on computationally intensive pre-training steps that entail processing ... read more
OBJECTIVE(S): Periodontitis is a chronic inflammatory disease characterized by progressive alveolar bone destruction. While lipid metabolism and neutrophil extracellular traps (NETs) are implicated in periodontitis pathogenesis, their precise molecul... read more
OBJECTIVES: Reliable, accessible, noninvasive self-assessment screening for prediabetes/diabetes is lacking, leading to missed opportunities for early intervention. We aimed to develop and externally validate a machine learning (ML)-derived self-asse... read more
L-malic acid (L-MA) is a valuable organic acid widely used in food, pharmaceuticals, and cosmetics. This study developed an efficient enzymatic system for its green synthesis using low-cost maleic acid as a substrate. Through bioinformatics mining, a... read more
Sperm sorting plays a pivotal role in assisted reproductive technologies (ART), ensuring the selection of functionally competent spermatozoa for enhanced fertilization, implantation, and pregnancy outcomes. Traditional approaches such as swim-up, den... read more
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