Occurrence numbers

Another application of basic subgraphs arises from the possibility of relating the invariants of molecular graphs to the occurrence numbers of some basic subgraphs. Estrada has developed this methodology for spectral moments of the edge-adjacency matrix of molecular graphs - defined as the traces of the different powers of such matrix ... 

The team then assigns a likelihood of occurrence number, OCC, to each of the causes. The occurrence number is a measure of either the probability or frequency of the cause occurring. 

This descriptor is defined for each pair of atom types and simply encodes the occurrence numbers of the given atom type pair at different distance values. It can be normalized by using two different procedures the first one consists in dividing each ATACfc value by the total number of atom pairs at distance k independently of their types the second one consists in dividing each ATACi value by a constant, which can be equal to the total number of atoms in the molecule or, alternatively, to the total number of (u,v) atom type pairs in the molecule. 

A list of similarity coefficients (s) and correlation measures (r) is given in Table S9, where s and t represent the two binary vectors and a, h, c, and d the occurrence number defined in Table S8. 

Adhesion molecule Occurrence Number of Ig-domains Ligand determinant Target cells References... 

The list then constructed should contain in its top part the most promising fragments which escaped attention. Nevertheless, in judging these fragments, not only the H-values of the fragments but also their occurrence numbers should be considered. 

Definition (Molecular formula, constitutional Isomer) Assume a set of chemical elements. The molecular formula of a molecule consists of a set of chemical elements, e.g. 4 = (H, C, N, 0) together with their occurrence numbers in the molecule, for example 3, 0,1, 0, resulting in the formula NH3 in the usual notation, where numbers 1 are left out. In mathematical terms this can be defined as follows ... 

Amo/ecu/ar/brmu/a is a mapping) from a given set of elements into the set of natural numbers N, which associates with X e its occurrence number /3(X) N in the molecule,... 

Structural restriction substructure This restriction consists of one or more substructure entries, together with an interval that fixes the occurrence number of each entry, if we want to forbid a substructure, we prescribe its occurrence number to be within the interval [0,0]. 

A subunit is specified by a molecular formula. A molecular graph M contains such a subunit with a given occurrence number if this number of connected molecular subgraphs with the specified formula is contained in M. 

It seems that linear models of a quality comparable to that for BP and PD models above cannot be constructed for MIC. One reason is that MIC has only seven different values in the real library, with occurrence numbers as follows ... 

On the arithmetical level the description uses in particular intervals for the occurrence numbers of atoms, on the topological level substructures can be logically combined and used by MOLGEN as structural restrictions. 

The SRM has been designed to take full account of both the high frequency low consequence type events (events occurring routinely for which there is significant quantity of recorded data) and the low frequency high consequence events (events occurring rarely for which there is little recorded data). The results for each hazardous event are presented in terms of the frequency of occurrence (number of events/year) and the risk (number of equivalent fatalities per year). 

Methodology— The multidisciplinary team should represent leadership from throughout the organization and provide oversight for the patient safety program. All patient care and nonpatient care departments must report safety events and potential occurrences. The report will contain aggregated information related to the type of occurrence, severity of occurrence, number and type of occurrences per department, and impact on the patient. The team will... 

The first basic chart is the Pareto Chart. This chart was developed by the Italian economist Pareto who noted that most of the problems were a result of a few causes. It is generally accepted that approximately 80% of the problems are the result of 20% of the causes. The chart is constructed with the most frequent item shown first, reading from left to right, and the second most frequent next, and so forth. While often constructed of frequency of occurrence numbers, costs. 

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