Digestive and liver disease : official journal of the Italian Society of Gastroenterology and the Italian Association for the Study of the Liver
Aug 13, 2021
Protein-protein interaction plays an important role in life activities. A more fine-grained analysis, such as residues and atoms level, will better benefit us to understand the mechanism for inter-protein interaction and drug design. The development ...
BACKGROUND: Heart failure (HF) is a leading cause of cardiac morbidity among women, whose risk factors differ from those in men. We used machine-learning approaches to develop risk- prediction models for incident HF in a cohort of postmenopausal wome...
Depression symptom heterogeneity limits the identifiability of treatment-response biomarkers. Whether improvement along dimensions of depressive symptoms relates to separable neural networks remains poorly understood. We build on work describing thre...
AIMS: Individual risk stratification is a fundamental strategy in managing patients with heart failure (HF). Artificial intelligence, particularly machine learning (ML), can develop superior models for predicting the prognosis of HF patients, and adm...
Journal of chemical information and modeling
Aug 13, 2021
Computation is increasingly being used to try to accelerate the discovery of new materials. One specific example of this is porous molecular materials, specifically porous organic cages, where the porosity of the materials predominantly comes from th...
Journal of chemical information and modeling
Aug 13, 2021
Most machine learning applications in quantum-chemistry (QC) data sets rely on a single statistical error parameter such as the mean square error (MSE) to evaluate their performance. However, this approach has limitations or can even yield incorrect ...
Chemical compound space (CCS), the set of all theoretically conceivable combinations of chemical elements and (meta-)stable geometries that make up matter, is colossal. The first-principles based virtual sampling of this space, for example, in search...
Inflammatory bowel diseases (IBD), namely Crohn's disease (CD) and ulcerative colitis (UC) are chronic inflammation within the gastrointestinal tract. IBD patient conditions and treatments, such as with immunosuppressants, may result in a higher risk...
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