Shape description is one of the key parts of image content description in MPEG-7. Most of existing shape descriptors are usually either application dependent or non-robust, making them undesirable for generic shape description. In this paper, a generic Fourier descriptor (GFD) is proposed to overcome the drawbacks of existing shape representation techniques. The proposed shape descriptor is der...

In this paper, we present a new inductive learning method for multilabel text categorization. The proposed method uses a mutual information measure to select terms and constructs document descriptor vectors for each category based on these terms. These document descriptor vectors form a document descriptor matrix. It also uses the document descriptor vectors to construct a document-similarity m...

This paper presents a new approach for the prediction of proteins' molecular surfaces from their amino acid sequences, using a multilayer artificial neural network. Our novel approach allows one to learn, and to predict, a pose-invariant shape index describing the molecular surface of a protein, by starting from a descriptor of the amino acid sequence. The input layer of the neural network is f...

The title compound, C(18)H(14)N(2)O(3), is an aroylhydrazone with an approximately planar structure [dihedral angle of 15.27 (13)° between the benzene ring and the naphthyl ring system], stabilized by intra-molecular N-H⋯O and O-H⋯N hydrogen bonds. Inter-molecular O-H⋯O hydrogen bonds with the keto group as acceptor lead to strands along [100]. In terms of graph-set analysis, the descriptor on ...

The antileukemic activity (medium effective dose, MED) of a set of 37 carboquinones was modeled using a combination of the electrotopological state (E-state) and molecular connectivity indices with multiple linear regression. A four-variable model gave good statistics: r2 = 0.90, s = 0.21. Using the leave-one-out method, the cross-validation statistics indicate a model useful for prediction: r2...

We introduce a density-dependent bonding descriptor that enables simultaneous visualization of both covalent and noncovalent interactions. The proposed quantity is tailored to reveal the regions of space, where the total electron density results from a strong overlap of shell, atomic, or molecular densities. We show that this approach is successful in describing a variety of bonding patterns as...

We describe protein transport across nanopores in a coarse-grained modeling. Numerical results reproduce a rich phenomenology, from fast transport to long blockades. Main translocation features are maintained in a 1D description of the process in an appropriate potential of the mean force. A second-rank tensor is selected as descriptor of the molecular shape. Its dynamics is identified by a pow...

The terminal Wiener index TW = TW (G) of a graph G is equal to the sum of distances between all pairs of pendent vertices of G . This distance–based molecular structure descriptor was put forward quite recently [I. Gutman, B. Furtula, M. Petrović, J. Math. Chem. 46 (2009) 522–531]. In this paper we report results on TW of thorn graphs. Also a method for calculation of TW of dendrimers is descri...