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Sources: "the DENDRAL program contains a structure GENERATOR as its core, abundantly constrained by a set of relevant heuristics. The GENERATOR is built upon a consideration of the conventional structure representation as a topological graph, i.e., the connectivity relations of a set of chemical atoms taken as nodes.
The points are connected to form the figure. When comparing Stiff diagrams between different waters it is important to prepare each diagram using the same ionic species, in the same order, on the same scale. Environmental laboratories typically report concentrations for anion and cation parameters using units of mass/volume, usually mg/L.
In graph theory, the degree of a vertex is its number of connections. In a chemical graph, the maximum degree of an atom is its valence, and the maximum number of bonds a chemical element can make. For example, carbon's valence is 4. In a chemical graph, an atom is saturated if it reaches its valence.
The diamond is a matrix transformation of a graph of the anions (sulfate + chloride/ total anions) and cations (sodium + potassium/total cations). [4] The Piper diagram is suitable for comparing the ionic composition of a set of water samples, but does not lend itself to spatial comparisons.
In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a chemical compound in terms of graph theory. A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds .
An ion network is an interconnected network or structure composed of ions in a solution. The term "ion network" was coined by Cho and coworkers in 2014. [1] The notion of extended ion aggregates in electrolyte solutions, however, can be found in an earlier report. [2]
Diagram of ion concentrations and charge across a semi-permeable cellular membrane. An electrochemical gradient is a gradient of electrochemical potential, usually for an ion that can move across a membrane.
A fact from Chemical graph generator appeared on Wikipedia's Main Page in the Did you know column on 21 March 2021 (check views).The text of the entry was as follows: Did you know... that one of the first generators of chemical graphs (example pictured) was developed in the context of NASA's Mariner program to facilitate the automated identification of chemical compounds in the search for life ...