Selection and identification of a subset of compounds from libraries or databases, which are likely to possess a desired biological activity is the main target of ligand-based virtual screening approaches. The main challenge of such approaches is achieving of high recall of active molecules. In this paper we presented fuzzy correlation coefficients (FCC), which is used as a similarity coefficie...

In this paper we propose and examine non–parametric statistical tests to define similarity and homogeneity measures for textures. The statistical tests are applied to the coefficients of images filtered by a multi–scale Gabor filter bank. We will demonstrate that these similarity measures are useful for both, texture based image retrieval and for unsupervised texture segmentation, and hence off...

This paper summarizes recent work at the University of Sheffield on virtual screening methods that use 2D fingerprint measures of structural similarity. A detailed comparison of a large number of similarity coefficients demonstrates that the well-known Tanimoto coefficient remains the method of choice for the computation of fingerprint-based similarity, despite possessing some inherent biases r...

A novel web-based tool PedWiz that pipelines the informatics process for pedigree data is introduced. PedWiz is designed to assist researchers in the analysis of pedigree data. It provides a convenient tool for pedigree informatics: descriptive statistics, relative pairs, genetic similarity coefficients, the variance-covariance matrix for three estimated coefficients of allele identical-by-desc...

This paper compares the performance of Jaccard's similarity coefficient with the producti on data-based simi 1arity coeffi­ cient. A number of machine-component charts taken from the literature or randomly generated are used to form machine-component groups. Then, the sum of intercellular and intracellular material handling costs for each machine-component group is calculated and used as a basi...

This chapter reviews the use of molecular fingerprints for chemical similarity searching. The fingerprints encode the presence of 2D substructural fragments in a molecule, and the similarity between a pair of molecules is a function of the number of fragments that they have in common. Although this provides a very simple way of estimating the degree of structural similarity between two molecule...

Success of Example-Based Machine Translation depends heavily on how efficient the retrieval scheme is. The more similar is the retrieved sentence to the input one, the easier will be the adaptation of the retrieved translation to the current requirement. However, there is no suitable scheme for measuring similarity between sentences. This paper reports preliminary results of a similarity measur...

ABSTRACT: We develop a simple computational tool for SU(3) analogous to Bargmann’s calculus for SU(2). Crucial new inputs are, (i) explicit representation of the Gelfand-Zetlin basis in terms of polynomials in four variables and positive or negative integral powers of a fifth variable (ii) an auxiliary Gaussian measure with respect to which the Gelfand-Zetlin states are orthogonal but not norma...

Quantum Lie algebras are generalizations of Lie algebras which have the quantum parameter h built into their structure. They have been defined concretely as certain submodules Lh(g) of the quantized enveloping algebras Uh(g). On them the quantum Lie product is given by the quantum adjoint action. Here we define for any finite-dimensional simple complex Lie algebra g an abstract quantum Lie alge...

A Gel’fand-Zetlin basis is introduced for the irreducible covariant tensor representations of the Lie superalgebra gl(m|n). Explicit expressions for the generators of the Lie superalgebra acting on this basis are determined. Furthermore, Clebsch-Gordan coefficients corresponding to the tensor product of any covariant tensor representation of gl(m|n) with the natural representation V ([1, 0, . ....