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Mathematical operations graphs

There is a common opinion that the interpretation of the topological indices, as constructed using refined mathematical operations with graphs, is complex and difficult (Estrada, 2001). The lack of understanding of these indices can lead to problems in the choice of TIs and their justification in QSPRs (Stankevich et al., 1995). [Pg.87]

Skill 18.1 Apply appropriate mathematical skills (e.g., algebraic operations, graphing, statistics, scientific notation) and technology to collect, analyze, and report data and to solve problems in chemistry. [Pg.116]

Once the type of representation has been selected, the similarity function or coefficient must be evaluated with respect to the chosen representation. Most of the similarity functions in use today are computed as ratios. The numerator is generally associated with some measure of the common features of the molecules being compared, while the denominator is associated with some measure of all of the features of the molecules. The mathematical forms of the similarity functions are quite similar, although evaluation of the expressions may require different types of mathematical operations. More specifically, the expressions set- and graph-based representations can be grouped together as can vector- and function-based representations. [Pg.357]

Property possessed by a system (they are constitutive to the system) allowing to store or to dissipate (convert into heat) energy. A property, constitutive or not, links two nodes in a Formal Graph belonging to the same energy subvariety. (Other links that are not constitutive of the system are featuring space-time, independently from the system.) A property is systematically represented by a mathematical operator, which can be reduced to a linear operator (scalar) in some cases. [Pg.46]

In addition to basic arithmetic and algebra, four mathematical operations are used frequently in general chemistry manipulating logarithms, using exponential notation, solving quadratie equations, and graphing data. Each is discussed briefly below. [Pg.793]

State two useful mathematical operations that could be performed on the graph. [Pg.434]

Demonstrate how you would use the integral method of data analysis to test (graphically) this rate equation against the experimental data. Carry out any mathematical operations that are required. Sketch the graph that you would make, showing what you would plot against whaL... [Pg.191]

The problems of operations research have stimulated new developments in several mathematical fields various aspects of game theory, stochastic processes, the calculus of variations, graph theory, and numerical analysis, to name a few. [Pg.253]

In measurement sciences, calibration is an operation that establish a relationship between an output quantity, qouU with an input quantity, q m for a measuring system under specified conditions (qin qout) The result of calibration is a model that may have the form of a conversion factor, a mathematical equation, or a graph. By means of this model, then it is possible to estimate q -values from measured q0Ut-values (qout qin) as can be seen in an abstracted form in Fig. 6.1. [Pg.149]

In this semi-empirical mathematical relationship, t R represents the retention time of the alkane containing n atoms of carbon, and a and b are numerical coefficients. The slope of the graph depends on the type of stationary phase used and the operating conditions of the chromatograph. [Pg.39]

The Fourier transform describes precisely the mathematical relationship between an object and its diffraction pattern. In Figs. 2.7-2.10, the diffraction patterns are the Fourier transforms of the corresponding objects or arrays of objects. To put it another way, the Fourier transform is the lens-simulating operation that a computer performs to produce an image of molecules (or more precisely, of electron clouds) in the crystal. This view of p(x,y,z) as the Fourier transform of the structure factors implies that if we can measure three parameters— amplitude, frequency, and phase — of each reflection, then we can obtain the function p(x,y,z), graph the function, and "see" a fuzzy image of the molecules in the unit cell. [Pg.26]

One cannot begin to solve an optimization problem without first choosing a single, quantitative, criterion of optimality. An equally important prerequisite is a means of finding the value of the criterion for any combination of the operating variables. Such a means, which may be a set of graphs, tables, mathematical functions, or computer codes, is often called a model of the system to be optimized. [Pg.274]

The bond-graph network of liquid membrane process can be successfully exploited for modeling the separation and transport ability of complex reaction-diffusion phenomena. However, such models involving appropriate mathematical formulations are especially useful in predicting the system s response to the changes in operating conditions and specific characteristics of the liquid membrane components. In general, such models are not... [Pg.218]

Visualization System This should ensure the adequate representation of the information retrieved from an information pool. This covers highly specialized representations like functional mathematical graphs, multidimensional graphs, and molecules as well as default representations in formatted texts or tables. In addition, some kind of three-dimensional (3D) information, like 3D views of departments, workflows, and operational procedures, can be helpful. [Pg.289]

Throughout this paper we have used an idealised notation for both the ADT operations and the production rules. In the formal specification of the ADT operations we have used a notation in the style of VDM-SL (5) but supplemented it with conventional mathematical notation. We have also made liberal use of auxiliary functions to mask inessential detail. Further work is underway to explore in detail the development of a suitable and consistent notation which will permit ADT specifications to be recast in the notation of a powerful expert system such as CLIPS (6) and to investigate a means of constructing and analysing the directed graph referred to in section 3. [Pg.360]

In this introductory chapter you have encountered some of the basic manipulations of Excel. The first time around you may feel overwhelmed by it, but don t worry as you practice, you will quickly become familiar with the rules of spreadsheets, and with their internal logic. A spreadsheet not only allows you to perform repeated calculations (such as computing values for a sine wave) and to print them as a graph, but to perform many much more sophisticated operations, such as data analysis and mathematical simulation. The main attributes of a spreadsheet such as Excel are ... [Pg.37]

Partial order has for its own a rich mathematical theory and there is a manifold of relations to combinatorics, graph theory and algebra. Even relations to experimental designs and variance analysis can be established. However, mathematicians like to find more structure for their objects to be studied. In that sense posets are poor, because there is only one binary operator, i.e., the <-relation. Comparing with the daily life example where we have addition and multiplication as binary operators the mathematical multitude in posets is somewhat restricted. Should this deficiency bother the applications This question can be answered with "yes" if the chapters of Kerber and of Seitz are examined. [Pg.353]


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