Abstract: Locality Sensitive Hashing (LSH) is one of the most
promising techniques for solving nearest neighbour search problem in
high dimensional space. Euclidean LSH is the most popular variation
of LSH that has been successfully applied in many multimedia
applications. However, the Euclidean LSH presents limitations that
affect structure and query performances. The main limitation of the
Euclidean LSH is the large memory consumption. In order to achieve
a good accuracy, a large number of hash tables is required. In this
paper, we propose a new hashing algorithm to overcome the storage
space problem and improve query time, while keeping a good
accuracy as similar to that achieved by the original Euclidean LSH.
The Experimental results on a real large-scale dataset show that the
proposed approach achieves good performances and consumes less
memory than the Euclidean LSH.
Abstract: New graph similarity methods have been proposed in this work with the aim to refining the chemical information extracted from molecules matching. For this purpose, data fusion of the isomorphic and nonisomorphic subgraphs into a new similarity measure, the Approximate Similarity, was carried out by several approaches. The application of the proposed method to the development of quantitative structure-activity relationships (QSAR) has provided reliable tools for predicting several pharmacological parameters: binding of steroids to the globulin-corticosteroid receptor, the activity of benzodiazepine receptor compounds, and the blood brain barrier permeability. Acceptable results were obtained for the models presented here.
Abstract: In this paper we study different similarity based approaches for the development of QSAR model devoted to the prediction of activity of antiobesity drugs. Classical similarity approaches are compared regarding to dissimilarity models based on the consideration of the calculation of Euclidean distances between the nonisomorphic fragments extracted in the matching process. Combining the classical similarity and dissimilarity approaches into a new similarity measure, the Approximate Similarity was also studied, and better results were obtained. The application of the proposed method to the development of quantitative structure-activity relationships (QSAR) has provided reliable tools for predicting of inhibitory activity of drugs. Acceptable results were obtained for the models presented here.