Based on descriptors of n-octanol/water partition coefficients (logKow), molecular connectivity indices, and quantum chemical parameters, several QSAR models were built to estimate the soil sorption coefficients (logKoc) of substituted anilines and phenols. Results showed that descriptor logKow plus molecular quantum chemical parameters gave poor regression models. Further study was performed t...

In this paper a new chemoinformatics tool for Molecular Diversity Analysis (MolDIA) is introduced. The objective of this system is the analysis of molecular similarity and diversity through the treatment of structural and physicochemical information. Current needs for chemical databases include the analysis, the management and the retrieval of chemical information. The implementation of eXtende...

A new method is proposed to check the detectability for a class of rectangular linear time invariant descriptor systems. The method is based on the properties of restricted system equivalent, derived here from a given descriptor system by means of simple matrix theory. Equivalence between the detectability of a given descriptor system and that of a normal system is established. The proposed res...

Recently, a novel degree-based molecular structure descriptor, called Sombor index was introduced. Let G=(V(G),E(G)) be graph. Then, the of G is defined as SO(G)=?uv?E(G)dG2(u)+dG2(v). In this paper, we give some lemmas that can used to compare indices between two graphs. With these lemmas, determine graph with maximum SO among all cacti n vertices and k cut edges. Furthermore, unique p pendant...

This paper provides an overview of recently developed two dimensional (2D) fragment-based QSAR methods as well as other multi-dimensional approaches. In particular, we present recent fragment-based QSAR methods such as fragment-similarity-based QSAR (FS-QSAR), fragment-based QSAR (FB-QSAR), Hologram QSAR (HQSAR), and top priority fragment QSAR in addition to 3D- and nD-QSAR methods such as comp...

The description of the object shape is an important characteristic of the image. In image processing and pattern recognition, several different shape descriptors are used. In human visual perception, the shapes are processed in multiple resolutions. Therefore multiscale shape representation is essential in the shape based image classification and retrieval. In the description of the object shap...

In this paper we propose a new descriptor for birds search. First, our work was carried on the choice of a descriptor. This choice is usually driven by the application requirements such as robustness to noise, stability with respect to bias, the invariance to geometrical transformations or tolerance to occlusions. In this context, we introduce a descriptor which combines the shape and color des...

In this paper we propose a new descriptor for birds search. First, our work was carried on the choice of a descriptor. This choice is usually driven by the application requirements such as robustness to noise, stability with respect to bias, the invariance to geometrical transformations or tolerance to occlusions. In this context, we introduce a descriptor which combines the shape and color des...