Molecular Property Prediction (MPP) is a fundamental task in important research fields such as chemistry, materials, biology, and medicine, where traditional computational chemistry methods based on quantum mechanics often consume substantial time an...
Neural networks : the official journal of the International Neural Network Society
Jan 25, 2025
Low-Rank Representation (LRR) methods integrate low-rank constraints and projection operators to model the mapping from the sample space to low-dimensional manifolds. Nonetheless, existing approaches typically apply Euclidean algorithms directly to m...
International journal of legal medicine
Jan 25, 2025
Sex estimation is an important part of skeletal analysis and forensic identification. Traditionally pelvic traits are utilized for accurate sex estimation. However, the long bones, especially humerus, have been proved to be as effective for determine...
BACKGROUND: Early treatment discontinuation in substance use disorder treatment settings is common and often difficult to predict. We leveraged a machine learning approach (i.e., random forest) to identify individuals at risk for treatment attrition,...
Clinical risk prediction models are ubiquitous in many surgical domains. The traditional approach to develop these models involves the use of regression analysis. Machine learning algorithms are gaining in popularity as an alternative approach for pr...
BACKGROUND: Generalized Anxiety Disorder (GAD) is a chronic condition. Enabling the prediction of individual trajectories would facilitate tailored management approaches for these individuals. This study used machine learning techniques to predict th...
Biochimica et biophysica acta. Molecular basis of disease
Jan 25, 2025
Drug resistance often stems from drug-tolerant persister (DTP) cells in cancer. These cells arise from various lineages and exhibit complex dynamics. However, effectively targeting DTP cells remains challenging. We used single-cell RNA sequencing (sc...
Diabetes mellitus (DM) represents a major global health challenge, affecting a diverse range of demographic populations across all age groups. It has particular implications for women during pregnancy and the postpartum period. The contemporary preva...
Global waste generation is projected to reach 3.40 billion tons by 2050, necessitating improved waste sorting for effective recycling and progress toward a circular economy. Achieving this transformation requires higher sorting intensity through inte...
Journal of chemical information and modeling
Jan 25, 2025
Accurately predicting activation energies is crucial for understanding chemical reactions and modeling complex reaction systems. However, the high computational cost of quantum chemistry methods often limits the feasibility of large-scale studies, le...
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