Title :
Identification of Relevant Properties for Epitopes Detection Using a Regression Model
Author :
Ambroise, Jérôme ; Giard, Joachim ; Gala, Jean-Luc ; Macq, Benoit
Author_Institution :
Inst. of Inf. & Commun. Technol., Electron. & Appl. Math., Univ. Catholique de Louvain, Louvain-la-Neuve, Belgium
Abstract :
A B-cell epitope is a part of an antigen that is recognized by a specific antibody or B-cell receptor. Detecting the immunogenic region of the antigen is useful in numerous immunodetection and immunotherapeutics applications. The aim of this paper is to find relevant properties to discriminate the location of potential epitopes from the rest of the protein surface. The most relevant properties, identified using two evaluation approaches, are the geometric properties, followed by the conservation score and some chemical properties, such as the proportion of glycine. The selected properties are used in a patch-based epitope localization method including a Single-Layer Perceptron for regression. The output of this Single-Layer Perceptron is used to construct a probability map on the antigen surface. The predictive performances of the method are assessed by computing the AUC using cross validation on two benchmark data sets and by computing the AUC and the precision for a third independent test set.
Keywords :
cellular biophysics; molecular biophysics; molecular configurations; proteins; regression analysis; statistical distributions; B-cell receptor; antibody; antigen; chemical properties; conservation score; epitope detection; geometric properties; glycine; immunodetection; immunogenic region; immunotherapeutics; patch-based epitope localization method; probability map; protein surface; regression model; single-layer perceptron; third independent test set; Amino acids; Computational biology; Computational modeling; Immune system; Proteins; Three dimensional displays; Epitope; antigen; machine learning.; regression; Area Under Curve; Epitope Mapping; Epitopes, B-Lymphocyte; Models, Molecular; Regression Analysis; Surface Properties;
Journal_Title :
Computational Biology and Bioinformatics, IEEE/ACM Transactions on
DOI :
10.1109/TCBB.2011.77