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Magnetic Resonance Spectroscopy

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Variation in the Thickness of Knee Cartilage. The Use of a Novel Machine Learning Algorithm for Cartilage Segmentation of Magnetic Resonance Images.

The Journal of arthroplasty
BACKGROUND: The variation in articular cartilage thickness (ACT) in healthy knees is difficult to quantify and therefore poorly documented. Our aims are to (1) define how machine learning (ML) algorithms can automate the segmentation and measurement ...

If machines can learn, who needs scientists?

Journal of magnetic resonance (San Diego, Calif. : 1997)
Machine learning has been used in NMR in for decades, but recent developments signal explosive growth is on the horizon. An obstacle to the application of machine learning in NMR is the relative paucity of available training data, despite the existen...

Auto-encoding NMR chemical shifts from their native vector space to a residue-level biophysical index.

Nature communications
Chemical shifts (CS) are determined from NMR experiments and represent the resonance frequency of the spin of atoms in a magnetic field. They contain a mixture of information, encompassing the in-solution conformations a protein adopts, as well as th...

A quantitative SVM approach potentially improves the accuracy of magnetic resonance spectroscopy in the preoperative evaluation of the grades of diffuse gliomas.

NeuroImage. Clinical
OBJECTIVES: To investigate the association between proton magnetic resonance spectroscopy (H-MRS) metabolic features and the grade of gliomas, and to establish a machine-learning model to predict the glioma grade.

Differential diagnosis of multiple system atrophy with predominant parkinsonism and Parkinson's disease using neural networks.

Journal of the neurological sciences
Differential diagnosis between Parkinson's disease (PD) and atypical parkinsonism, such as multiple system atrophy (MSA), can be difficult, especially in the early stages of the disease. Deep learning using neural networks (NNs) makes possible the pr...

Predicting Ion Mobility Collision Cross-Sections Using a Deep Neural Network: DeepCCS.

Analytical chemistry
Untargeted metabolomic measurements using mass spectrometry are a powerful tool for uncovering new small molecules with environmental and biological importance. The small molecule identification step, however, still remains an enormous challenge due ...

Artificial intelligence based discovery of the association between depression and chronic fatigue syndrome.

Journal of affective disorders
BACKGROUND: Both of the modern medicine and the traditional Chinese medicine classify depressive disorder (DD) and chronic fatigue syndrome (CFS) to one type of disease. Unveiling the association between depressive and the fatigue diseases provides a...

Incorporation of a spectral model in a convolutional neural network for accelerated spectral fitting.

Magnetic resonance in medicine
PURPOSE: MRSI has shown great promise in the detection and monitoring of neurologic pathologies such as tumor. A necessary component of data processing includes the quantitation of each metabolite, typically done through fitting a model of the spectr...

Pectin extraction from Helianthus annuus (sunflower) heads using RSM and ANN modelling by a genetic algorithm approach.

International journal of biological macromolecules
In this work, Response Surface Methodology (RSM) and Artificial Neural Network coupled with genetic algorithm (ANN-GA) have been used to develop a model and optimise the conditions for the extraction of pectin from sunflower heads. Input parameters w...

Controlling an organic synthesis robot with machine learning to search for new reactivity.

Nature
The discovery of chemical reactions is an inherently unpredictable and time-consuming process. An attractive alternative is to predict reactivity, although relevant approaches, such as computer-aided reaction design, are still in their infancy. React...