Journal of chemical theory and computation
Jun 7, 2022
Machine learning (ML) approaches have demonstrated the ability to predict molecular spectra at a fraction of the computational cost of traditional theoretical chemistry methods while maintaining high accuracy. Graph neural networks (GNNs) are particu...
Antibacterial drugs (AD) change the metabolic status of bacteria, contributing to bacterial death. However, antibiotic resistance and the emergence of multidrug-resistant bacteria increase interest in understanding metabolic network (MN) mutations an...
Clinical and translational gastroenterology
Jun 7, 2022
INTRODUCTION: Hospitalization is the primary driver of inflammatory bowel disease (IBD)-related healthcare costs and morbidity. Traditional prediction models have poor performance at identifying patients at highest risk of unplanned healthcare utiliz...
BACKGROUND: Due to their diverse bioactivity, natural product (NP)s have been developed as commercial products in the pharmaceutical, food and cosmetic sectors as natural compound (NC)s and in the form of extracts. Following administration, NCs typic...
BACKGROUND: Myocardial infarction can lead to malignant arrhythmia, heart failure, and sudden death. Clinical studies have shown that early identification of and timely intervention for acute MI can significantly reduce mortality. The traditional MI ...
Machine learning approaches in drug discovery, as well as in other areas of the chemical sciences, benefit from curated datasets of physical molecular properties. However, there currently is a lack of data collections featuring large bioactive molecu...
BACKGROUND: Machine learning algorithms are currently used in a wide array of clinical domains to produce models that can predict clinical risk events. Most models are developed and evaluated with retrospective data, very few are evaluated in a clini...
Computational intelligence and neuroscience
Jun 7, 2022
Breast cancer develops when cells in the breast expand and divide uncontrollably, resulting in a lump of tissue known as a tumor. This lump of tissue is called a tumor. After skin cancer, breast cancer is the second most common cancer among women. It...
There are many thyroid diseases affecting people all over the world. Many diseases affect the thyroid gland, like hypothyroidism, hyperthyroidism, and thyroid cancer. Thyroid inefficiency can cause severe symptoms in patients. Effective classificatio...
Alzheimer's & dementia : the journal of the Alzheimer's Association
Jun 6, 2022
INTRODUCTION: To test the utility of the "A/T/N" system in the Chinese population, we study core Alzheimer's disease (AD) biomarkers in a newly established Chinese cohort.
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