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Magnetic Resonance Spectroscopy

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Brain tumor classification of virtual NMR voxels based on realistic blood vessel-induced spin dephasing using support vector machines.

NMR in biomedicine
Remodeling of tissue microvasculature commonly promotes neoplastic growth; however, there is no imaging modality in oncology yet that noninvasively quantifies microvascular changes in clinical routine. Although blood capillaries cannot be resolved in...

Neural Message Passing for NMR Chemical Shift Prediction.

Journal of chemical information and modeling
Fast and accurate prediction of NMR spectra enables automatic structure validation and elucidation of molecules on a large scale. In this Article, we propose an improved method of learning from an NMR database to predict the chemical shifts of NMR-ac...

Deep learning-based target metabolite isolation and big data-driven measurement uncertainty estimation in proton magnetic resonance spectroscopy of the brain.

Magnetic resonance in medicine
PURPOSE: The aim of this study was to develop a method for metabolite quantification with simultaneous measurement uncertainty estimation in deep learning-based proton magnetic resonance spectroscopy ( H-MRS).

A Convolutional Neural Network-Based Approach for the Rapid Annotation of Molecularly Diverse Natural Products.

Journal of the American Chemical Society
This report describes the first application of the novel NMR-based machine learning tool "Small Molecule Accurate Recognition Technology" (SMART 2.0) for mixture analysis and subsequent accelerated discovery and characterization of new natural produc...

Reconstruction of spectra from truncated free induction decays by deep learning in proton magnetic resonance spectroscopy.

Magnetic resonance in medicine
PURPOSE: To explore the applicability of convolutional neural networks (CNNs) in the reconstruction of spectra from truncated FIDs (tFIDs) in H-MRS, which can be valuable in situations in which data sampling is highly limited, such as spectroscopic ...

A comparison between two semantic deep learning frameworks for the autosomal dominant polycystic kidney disease segmentation based on magnetic resonance images.

BMC medical informatics and decision making
BACKGROUND: The automatic segmentation of kidneys in medical images is not a trivial task when the subjects undergoing the medical examination are affected by Autosomal Dominant Polycystic Kidney Disease (ADPKD). Several works dealing with the segmen...

Deeper Profiles and Cascaded Recurrent and Convolutional Neural Networks for state-of-the-art Protein Secondary Structure Prediction.

Scientific reports
Protein Secondary Structure prediction has been a central topic of research in Bioinformatics for decades. In spite of this, even the most sophisticated ab initio SS predictors are not able to reach the theoretical limit of three-state prediction acc...

Neural-network classification of cardiac disease from P cardiovascular magnetic resonance spectroscopy measures of creatine kinase energy metabolism.

Journal of cardiovascular magnetic resonance : official journal of the Society for Cardiovascular Magnetic Resonance
BACKGROUND: The heart's energy demand per gram of tissue is the body's highest and creatine kinase (CK) metabolism, its primary energy reserve, is compromised in common heart diseases. Here, neural-network analysis is used to test whether noninvasive...