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Likewise, the two descriptors based on a topological description also cluster (T-scales and ST-scales).
Theoretical models to virtual screening and rational design of anticonvulsant compounds based on a topological sub-structural molecular design (TOSS-MODE) approach are developed.
In this paper, we present a unified approach to global localisation and position tracking which is based on a topological map augmented with metric information.
Additionaldata from SDF files is stored for each entry and can be recreated during export.Since the identification of molecules is based on a topological description,different tautomeric forms and protonation states are generally handled asseparate entities.
Additionally the theory based on a topological analysis of the electron charge density and its Laplacian has proved invaluable for investigating the properties of H-bonding systems [58, 59].
In this section, we deal with some eigenvalue results for strongly quasibounded maximal monotone operators in reflexive separable Banach spaces, based on a topological degree theory for ( S + ) L -perturbations of maximal monotone operators due to Kartsatos and Quarcoo [18].
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The method is based on a simplistic topological approach which is incorporated into an efficient numerical optimization process used to solve non-linear problems.
The method is based on a simplistic topological approach which is incorporated into an efficient variational graph-theoretic process used to solve these non-linear problems.
The standard translation of a biological process into the Boolean formalism is phenomenological and based on a purely topological map of the system.
The groups of highly-interconnected nodes may form clusters based on a "first topological clustering" strategy, which aimed at partitioning complex networks into modules.
In the present paper we address that specific problem and present two methods one based on elementary modes (steady state approach) and one based on a direct enumeration algorithm (topological approach).
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