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Superset

The OPLS atom types are a superset of the AMBER united atom types and the bonding parameters are just those of AMBER, supplemented where needed by the OPLS developers. The bond stretch, angle bending, dihedral angle and improper dihedral angle terms are identical to those of AMBER. Unlike AMBER, different combination rules are used for the van der Waals parameters, no hydrogen bonding term is used and no lone pairs are used. [Pg.192]

Delete all supersets (sets that contain another set as a subset). [Pg.84]

This is reduced to simply 1, 2. On other occasions the sets might include supersets. For instance, consider... [Pg.497]

The second and third sets are supersets of the first basic set because events 1 and 2 are in common. The supersets are eliminated to produce the minimal cut sets. [Pg.497]

In the BioFocus approach, the analysis was driven by the observed SAR of the systems and in the above case by some elegant experimental biology. More formally Thematic Analysis is a superset of the above approach as it describes the recognition processes in all-hehcal environments and hence is able to be extended to Family B and C GPCRs and also ion channels. [Pg.92]

PCA and HCA (Sample Diagnostic) In addition to the KNN numerical results, it is instructive to use other pattern-recognition tools to examine the data. As discussed in Sections 4.2.1 and 4.2.2, HCA and/or PCA can be helpful for visualizing multivariate data to better understand the clustering (see Section 4.2.1.1 for HCA results using a superset of these data). [Pg.244]

PCA and HCA (Sample Diagnostic) A superset of these data is discussed in Section 4.2.1.2. [Pg.249]

Van Gelder Yes, but the Cry cells are a superset of that family. Those cells light up plus many other cells. [Pg.108]

I want to be even-handed again, but that is hard when considering graphics and its superset, multimedia, for it plays such a compelling role in education, that it is hard to believe that there can be any disadvantages in its deployment. But there are. [Pg.51]

If we consider a superset of drag molecules composed of M structurally different... [Pg.30]

PL-I, or programming language One, was meant by IBM to be a superset of both FORTRAN and ALGOL, but it was resisted in the marketplace and disappeared. [Pg.556]

Alternatively, the number of desired compounds can be predefined and a stochastic algorithm used to maximize the diversity of the selected set, although these methods are even slower than addition methods. Sphere-exclusion methods, which Pearlman calls "elimination" algorithms because the diverse subset is created by eliminating compounds from the superset, have been implemented in Diverse-Solutions (31) (see Section 2.2.1.1), providing a rapid distance-based diverse subset selection method. The minimum distance between nearest neighbors within the diverse subset is first defined a compound is chosen at... [Pg.207]

The programming models that underlie Fortran [33] and C [34] are very similar. Both support data structures and encapsulation. C-t-t- [35] is a superset of C that includes support for several advanced object oriented constructions. The ob-... [Pg.240]

Most of the generated reactions were eliminated during the construction of the mechanism. The primary tool was the comparison of reaction rates for parallel reaction channels. This approach required careful planning of the order of generation of the reaction types. The program was used for the pyrolysis of C1-C4 hydrocarbons. Mechanisms for ethane, propane and butane contained 15, 49 and 76 species and 18, 115 and 179 reactions, respectively. These mechanisms were compared with schemes which had been proposed by human experts. Most of the reactions were identical, and, in general, the program proposed a superset of those presented in the literature. [Pg.306]

A fuzzy set B is called an R-deficient set if B has none of the point symmetry elements of family R. However, by analogy with the case of crisp sets, it takes only infinitesimal distortions to lose a given symmetry element. Consequently, unless further restrictions are applied, the total mass difference between a fuzzy set of a specified symmetry and another fuzzy set that does not have this symmetry can be infinitesimal. As a result, i -deficient fuzzy sets and fuzzy R sets can be almost identical. Nevertheless, the actual symmetry deficiencies of fuzzy continua, such as formal molecular bodies represented by fuzzy clouds of electron densities, can be defined in terms of the deviations from their maximal R subsets and minimal R supersets, defined in subsequent text. [Pg.159]

A fuzzy set C is a minimal mass R-deficient superset of fuzzy set A A C is an B-deficient fuzzy set, A cC, and if for all minimal B-deficient supersets C of fuzzy set A, the relation m(C)total mass m(C) is a unique number for each fuzzy set A. [Pg.160]

If B is a maximal mass fuzzy B subset of fuzzy set A, and C is a minimal mass fuzzy B superset of fuzzy set A, then the relations among these fuzzy sets define measures for symmetry deficiency. The relationships... [Pg.160]

For any fuzzy R subset B, R superset C, maximal mass fuzzy R subset B, and minimal mass fuzzy R superset C of any fuzzy set A, the relations... [Pg.161]

Fuzzy set C is a minimal mass achiral superset of fuzzy set A if the... [Pg.161]

If fuzzy set A is achiral, then both the minimal achiral fuzzy superset B and the minimal mass achiral fuzzy superset C are unique and B = C=A. [Pg.162]

Here fuzzy set is a maximal achiral subset, fuzzy set 5 is a maximal mass achiral subset, fuzzy set C is a minimal achiral fuzzy superset, and fuzzy set C is a minimal mass achiral superset of fuzzy set A. [Pg.163]


See other pages where Superset is mentioned: [Pg.192]    [Pg.60]    [Pg.175]    [Pg.86]    [Pg.88]    [Pg.209]    [Pg.226]    [Pg.497]    [Pg.54]    [Pg.70]    [Pg.437]    [Pg.363]    [Pg.44]    [Pg.124]    [Pg.60]    [Pg.205]    [Pg.441]    [Pg.286]    [Pg.304]    [Pg.202]    [Pg.207]    [Pg.402]    [Pg.160]    [Pg.160]    [Pg.160]    [Pg.162]    [Pg.162]    [Pg.163]   
See also in sourсe #XX -- [ Pg.12 ]




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Minimal achiral superset

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