Unsupervised machine learning for exploratory data analysis in imaging mass spectrometry
N Verbeeck, RM Caprioli… - Mass spectrometry …, 2020 - Wiley Online Library
Imaging mass spectrometry (IMS) is a rapidly advancing molecular imaging modality that
can map the spatial distribution of molecules with high chemical specificity. IMS does not …
can map the spatial distribution of molecules with high chemical specificity. IMS does not …
A critical and concise review of mass spectrometry applied to imaging in drug discovery
RJA Goodwin, Z Takats… - … : Advancing the Science of …, 2020 - journals.sagepub.com
During the past decade, mass spectrometry imaging (MSI) has become a robust and
versatile methodology to support modern pharmaceutical research and development. The …
versatile methodology to support modern pharmaceutical research and development. The …
The ocean sampling day consortium
A Kopf, M Bicak, R Kottmann, J Schnetzer, I Kostadinov… - Gigascience, 2015 - Springer
Abstract Ocean Sampling Day was initiated by the EU-funded Micro B3 (Marine Microbial
Biodiversity, Bioinformatics, Biotechnology) project to obtain a snapshot of the marine …
Biodiversity, Bioinformatics, Biotechnology) project to obtain a snapshot of the marine …
Benchmark datasets for 3D MALDI-and DESI-imaging mass spectrometry
Abstract Background Three-dimensional (3D) imaging mass spectrometry (MS) is an
analytical chemistry technique for the 3D molecular analysis of a tissue specimen, entire …
analytical chemistry technique for the 3D molecular analysis of a tissue specimen, entire …
Essential spectral pixels for multivariate curve resolution of chemical images
M Ghaffari, N Omidikia, C Ruckebusch - Analytical chemistry, 2019 - ACS Publications
We propose a methodology to select essential spectral pixels (ESPs) of chemical images.
These pixels are on the outer envelope of the principal component scores of the data and …
These pixels are on the outer envelope of the principal component scores of the data and …
Joint selection of essential pixels and essential variables across hyperspectral images
M Ghaffari, N Omidikia, C Ruckebusch - Analytica Chimica Acta, 2021 - Elsevier
An approach is proposed and illustrated for the joint selection of essential samples and
essential variables of a data matrix in the frame of spectral unmixing. These essential …
essential variables of a data matrix in the frame of spectral unmixing. These essential …
Serial 3D imaging mass spectrometry at its tipping point
AD Palmer, T Alexandrov - Analytical chemistry, 2015 - ACS Publications
Since biology is by and large a 3-dimensional phenomenon, it is hardly surprising that 3D
imaging has had a significant impact on many challenges in the life sciences. Imaging mass …
imaging has had a significant impact on many challenges in the life sciences. Imaging mass …
Multivariate analysis of extremely large ToFSIMS imaging datasets by a rapid PCA method
PJ Cumpson, N Sano, IW Fletcher… - Surface and …, 2015 - Wiley Online Library
Principal component analysis (PCA) and other multivariate analysis methods have been
used increasingly to analyse and understand depth profiles in X‐ray photoelectron …
used increasingly to analyse and understand depth profiles in X‐ray photoelectron …
The use of random projections for the analysis of mass spectrometry imaging data
The 'curse of dimensionality'imposes fundamental limits on the analysis of the large,
information rich datasets that are produced by mass spectrometry imaging. Additionally …
information rich datasets that are produced by mass spectrometry imaging. Additionally …
Accelerating Fourier transform-ion cyclotron resonance mass spectrometry imaging using a subspace approach
We present a subspace method that accelerates data acquisition using Fourier transform-ion
cyclotron resonance (FT-ICR) mass spectrometry imaging (MSI). For MSI of biological tissue …
cyclotron resonance (FT-ICR) mass spectrometry imaging (MSI). For MSI of biological tissue …