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Chemical imaging (as quantitative – chemical mapping) is the analytical capability to create a visual image of components distribution from simultaneous measurement of spectra and spatial, time information. [1] [2] Hyperspectral imaging measures contiguous spectral bands, as opposed to multispectral imaging which measures spaced spectral ...
Chemical space is a concept in cheminformatics referring to the property space spanned by all possible molecules and chemical compounds adhering to a given set of construction principles and boundary conditions. It contains millions of compounds which are readily accessible and available to researchers.
The construction of physical models is often a creative act, and many bespoke examples have been carefully created in the workshops of science departments. There is a very wide range of approaches to physical modeling, including ball-and-stick models available for purchase commercially, to molecular models created using 3D printers .
Structure of cisplatin, an example of a molecule with the square planar coordination geometry. In chemistry, the square planar molecular geometry describes the stereochemistry (spatial arrangement of atoms) that is adopted by certain chemical compounds. As the name suggests, molecules of this geometry have their atoms positioned at the corners.
Chemical structures are presented to help readers understand the nature of the titled material. One can subdivide chemical compounds into two main groups: molecules, which includes most organic, polyatomic gases, and organometallic compounds, and nonmolecular species, which includes most purely inorganic compounds. The structures of many ...
In mathematics, a chaotic map is a map (an evolution function) that exhibits some sort of chaotic behavior. Maps may be parameterized by a discrete-time or a continuous-time parameter. Discrete maps usually take the form of iterated functions. Chaotic maps often occur in the study of dynamical systems.
Given the determinants of chemical bonding and the chemical properties of the atoms, topology provides a model for explaining how the atoms ethereal wave functions must fit together. Molecular topology is a part of mathematical chemistry dealing with the algebraic description of chemical compounds so allowing a unique and easy characterization ...
A primary application of cheminformatics is the storage, indexing, and search of information relating to chemical compounds. [13] The efficient search of such stored information includes topics that are dealt with in computer science, such as data mining, information retrieval, information extraction , and machine learning .