Exploring the potential of 3D Zernike descriptors and SVM for protein\u2013protein interface prediction

Abstract Background The correct determination of protein–protein interaction interfaces is important for understanding disease mechanisms and for rational drug design. To date, several computational methods for the prediction of protein interfaces have been developed, but the interface prediction problem is still not fully understood. Experimental evidence suggests that the location of binding sites is imprinted in the protein structure, but there are major differences among the interfaces of the various protein types: the characterising properties can vary a lot depending on the interaction type and function. The selection of an optimal set of features characterising the protein interface and the development of an effective method to represent and capture the complex protein recognition patterns are of paramount importance for this task. Results In this work we investigate the potential of a novel local surface descriptor based on 3D Zernike moments for the interface prediction task. Descriptors invariant to roto-translations are extracted from circular patches of the protein surface enriched with physico-chemical properties from the HQI8 amino acid index set, and are used as samples for a binary classification problem. Support Vector Machines are used as a classifier to distinguish interface local surface patches from non-interface ones. The proposed method was validated on 16 classes of proteins extracted from the Protein–Protein Docking Benchmark 5.0 and compared to other state-of-the-art protein interface predictors (SPPIDER, PrISE and NPS-HomPPI). Conclusions The 3D Zernike descriptors are able to capture the similarity among patterns of physico-chemical and biochemical properties mapped on the protein surface arising from the various spatial arrangements of the underlying residues, and their usage can be easily extended to other sets of amino acid properties. The results suggest that the choice of a proper set of features characterising the protein interface is crucial for the interface prediction task, and that optimality strongly depends on the class of proteins whose interface we want to characterise. We postulate that different protein classes should be treated separately and that it is necessary to identify an optimal set of features for each protein class

Factors affecting the effectiveness of biomedical document indexing and retrieval based on terminologies

International audienceThe aim of this work is to evaluate a set of indexing and retrieval strategies based on the integration of several biomedical terminologies on the available TREC Genomics collections for an ad hoc information retrieval (IR) task.Materials and methodsWe propose a multi-terminology based concept extraction approach to selecting best concepts from free text by means of voting techniques. We instantiate this general approach on four terminologies (MeSH, SNOMED, ICD-10 and GO). We particularly focus on the effect of integrating terminologies into a biomedical IR process, and the utility of using voting techniques for combining the extracted concepts from each document in order to provide a list of unique concepts.ResultsExperimental studies conducted on the TREC Genomics collections show that our multi-terminology IR approach based on voting techniques are statistically significant compared to the baseline. For example, tested on the 2005 TREC Genomics collection, our multi-terminology based IR approach provides an improvement rate of +6.98% in terms of MAP (mean average precision) (p < 0.05) compared to the baseline. In addition, our experimental results show that document expansion using preferred terms in combination with query expansion using terms from top ranked expanded documents improve the biomedical IR effectiveness.ConclusionWe have evaluated several voting models for combining concepts issued from multiple terminologies. Through this study, we presented many factors affecting the effectiveness of biomedical IR system including term weighting, query expansion, and document expansion models. The appropriate combination of those factors could be useful to improve the IR performance

Characterisation and adaptive learning in interactive video retrieval

El objetivo principal de esta tesis consiste en utilizar eficazmente los modelos de tópicos latentes para afrontar el problema de la recuperación automática de vídeo. Concretamente, se pretende mejorar tanto a nivel de eficiencia como a nivel de precisión el actual estado del arte en materia de los sitemas de recuperación automática de vídeo. En general, los modelos de tópicos latentes son un conjunto de herramientas estadísticas que permiten extraer los patrones generadores de una colección de datos. Tradicionalmente, este tipo de técnicas no han sido consideradas de gran utilidad para los sistemas de recuperación automática de vídeo debido a su alto coste computacional y a la propia complejidad del espacio de tópicos en el ámbito de la información visual.In this work, we are interested in the use of latent topics to overcome the current limitations in CBVR. Despite the potential of topic models to uncover the hidden structure of a collection, they have traditionally been unable to provide a competitive advantage in CBVR because of the high computational cost of their algorithms and the complexity of the latent space in the visual domain. Throughout this thesis we focus on designing new models and tools based on topic models to take advantage of the latent space in CBVR. Specifically, we have worked in four different areas within the retrieval process: vocabulary reduction, encoding, modelling and ranking, being our most important contributions related to both modelling and ranking