Abstract: Structure-Activity relationship analysis aims at discovering chemical activity of molecular compounds based on their structure. In this article we make use of a particular graph representation of molecules and propose a new graph embedding procedure to solve the problem of structure-activity relationship analysis. The embedding is essentially an arrangement of a molecule in the form of a vector by considering frequencies of appearing atoms and frequencies of covalent bonds between them. Results on two benchmark databases show the effectiveness of the proposed technique in terms of recognition accuracy while avoiding high operational costs in the transformation.

Abstract: In this paper we evaluate four graph distance measures. The analysis is performed for document retrieval tasks. For this aim, different kind of documents are used which include line drawings (symbols), ancient documents (ornamental letters), shapes and trademark-logos. The experimental results show that the performance of each grahp distance measure depends on the kind of data and the graph representation technique.

Abstract: We present a new methodology for symbol recognition, by employing a structural approach for representing visual associations in symbols and a statistical classifier for recognition. A graphic symbol is vectorized, its topological and geometrical details are encoded by an attributed relational graph and a signature is computed for it. Data adapted fuzzy intervals have been introduced for addressing the sensitivity of structural representations to noise. The joint probability distribution of signatures is encoded by a Bayesian network, which serves as a mechanism for pruning irrelevant features and choosing a subset of interesting features from structural signatures of underlying symbol set, and is deployed in a supervised learning scenario for recognizing query symbols. Experimental results on pre-segmented 2D linear architectural and electronic symbols from GREC databases are presented.