Can image analysis provide information useful in chemistry?

Abstract

Images can contain chemical information and many chemical methods can generate image data. For an efficient extraction of chemical data from images, data analysis techniques are necessary. It is a great advantage to be able to work on multivariate images. Many imaging techniques allow the extraction of chemical information. Inorganic analytical chemistry seems to have the longest tradition here, but organic chemistry and biochemistry may soon be catching up. Also large data arrays from non‐imaging techniques can be combined with image analysis in a useful way, provided certain conditions are fulfilled.

Computational evaluation of some indenopyrazole derivatives as anticancer compounds; application of QSAR and docking methodologies

“…As it was shown by Geladi and Esbensen 37 multivariate image analysis may present valuable information in chemistry and 2D images of chemical structures contain useful chemical information 38 . Hence numerous obtained descriptors may be treated in a multivariate way in order to correlate the structures of compounds (as images of compounds) with the corresponding bioactivities (pIC 50 ).…”

Chemical Non-Destructive Evaluation at the Center for Process Analytical Chemistry

“…The field of imaging has demonstrated its utility as a method for extracting quantitative and qualitative chemical information [14][15][16][17]. There are analytical problems where an overwhelming need exists for spatial information in addition to the standard information retrieved from a spectroscopic analysis.…”

“…Various imaging technologies have provided access to this spatial domain. Since the relationship between an image and the chemical/physical properties of the object under study is inherently related to the spectral behavior of the imaging system, it seems natural to utilize the existence of this spectral information in conjunction with the spatial information [17]. By coupling the spectral and spatial domains the complexity of the data increases.…”

“…In fact, in the same manner as many of the current analytical methods, there are problems when many chemical substances are present in the sample. [17]. In general, these imaging techniques suffer from the same problems that plague many analytical methods.…”

Classification of secondary ion mass spectrometry (SIMS) micrographs to characterize chemical phases

“…These include optical microscopy [2], electron microscopy (EPMA) [3][4][5][6], ion microscopy (as used in secondary ion mass spectrometry (SIMS)) [7][8][9][10], X-ray and NMR tomography [ll, 12]. Univariate operations for reducing noise and enhancing the image quality can be carried out on the pictures obtained before submitting them to further multivariate analysis [13].…”