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Motivation: There is much interest in reducing the complexity inherent in the representation of the 20 standard amino acids within bioinformatics algorithms by developing a so-called reduced alphabet. Although there is no universally applicable residue grouping, there are numerous physiochemical criteria upon which one can base groupings. Local descriptors are a form of alignment-free analysis, the efficiency of which is dependent upon the correct selection of amino acid groupings. Results: Within the context of G-protein coupled receptor (GPCR) classification, an optimization algorithm was developed, which was able to identify the most efficient grouping when used to generate local descriptors. The algorithm was inspired by the relatively new computational intelligence paradigm of artificial immune systems. A number of amino acid groupings produced by this algorithm were evaluated with respect to their ability to generate local descriptors capable of providing an accurate classification algorithm for GPCRs. Contact: m.davies@mail.cryst.bbk.ac.uk

Motivation: G protein-coupled receptors (GPCRs) play an important role in many physiological systems by transducing an extracellular signal into an intracellular response. Over 50% of all marketed drugs are targeted towards a GPCR. There is considerable interest in developing an algorithm that could effectively predict the function of a GPCR from its primary sequence. Such an algorithm is useful not only in identifying novel GPCR sequences but in characterizing the interrelationships between known GPCRs.Results: An alignment-free approach to GPCR classification has been developed using techniques drawn from data mining and proteochemometrics. A dataset of over 8000 sequences was constructed to train the algorithm. This represents one of the largest GPCR datasets currently available. A predictive algorithm was developed based upon the simplest reasonable numerical representation of the protein's physicochemical properties. A selective top-down approach was developed, which used a hierarchical classifier to assign sequences to subdivisions within the GPCR hierarchy. The predictive performance of the algorithm was assessed against several standard data mining classifiers and further validated against Support Vector Machine-based GPCR prediction servers. The selective top-down approach achieves significantly higher accuracy than standard data mining methods in almost all cases.Contact: m.davies@mail.cryst.bbk.ac.uk

The G-protein coupled receptor (GPCR) superfamily fulfils various metabolic functions and interacts with a diverse range of ligands. There is a lack of sequence similarity between the six classes that comprise the GPCR superfamily. Moreover, most novel GPCRs found have low sequence similarity to other family members which makes it difficult to infer properties from related receptors. Many different approaches have been taken towards developing efficient and accurate methods for GPCR classification, ranging from motif-based systems to machine learning as well as a variety of alignment-free techniques based on the physiochemical properties of their amino acid sequences. This review describes the inherent difficulties in developing a GPCR classification algorithm and includes techniques previously employed in this area.

The natural immune system exhibits many properties that are of interest to the area of Web mining. Of particular interest is the dynamic nature of the immune system when compared with the dynamic nature of mining information from the Web. As part of a larger project to construct a large-scale dynamic Web-mining system, this chapter reports initial work on constructing an e-mail classifier system. The Artificial Immune System for e-mail Classification (AISEC) is described in detail and compared with a traditional approach of naive Bayesian classification. Results reported compare favorably with the Bayesian approach and this chapter highlights how the Danger Theory from immunology can be used to further improve the performance of such an artificial immune system.

The G-protein coupled receptors--or GPCRs--comprise simultaneously one of the largest and one of the most multi-functional protein families known to modern-day molecular bioscience. From a drug discovery and pharmaceutical industry perspective, the GPCRs constitute one of the most commercially and economically important groups of proteins known. The GPCRs undertake numerous vital metabolic functions and interact with a hugely diverse range of small and large ligands. Many different methodologies have been developed to efficiently and accurately classify the GPCRs. These range from motif-based techniques to machine learning as well as a variety of alignment-free techniques based on the physiochemical properties of sequences. We review here the available methodologies for the classification of GPCRs. Part of this work focuses on how we have tried to build the intrinsically hierarchical nature of sequence relations, implicit within the family, into an adaptive approach to classification. Importantly, we also allude to some of the key innate problems in developing an effective approach to classifying the GPCRs: the lack of sequence similarity between the six classes that comprise the GPCR family and the low sequence similarity to other family members evinced by many newly revealed members of the family.

We address the important bioinformatics problem of predicting protein function from a protein's primary sequence. We consider the functional classification of G-Protein-Coupled Receptors (GPCRs), whose functions are specified in a class hierarchy. We tackle this task using a novel top-down hierarchical classification system where, for each node in the class hierarchy, the predictor attributes to be used in that node and the classifier to be applied to the selected attributes are chosen in a data-driven manner. Compared with a previous hierarchical classification system selecting classifiers only, our new system significantly reduced processing time without significantly sacrificing predictive accuracy.

PurposeThe term selection problem for selecting query terms in information filtering and routing has been investigated using hill‐climbers of various kinds, largely through the Okapi experiments in the TREC series of conferences. Although these are simple deterministic approaches, which examine the effect of changing the weight of one term at a time, they have been shown to improve the retrieval effectiveness of filtering queries in these TREC experiments. Hill‐climbers are, however, likely to get trapped in local optima, and the use of more sophisticated local search techniques for this problem that attempt to break out of these optima are worth investigating. To this end, this paper aims to apply a genetic algorithm (GA) to the same problem.Design/methodology/approachA standard TREC test collection is used from the TREC‐8 filtering track, recording mean average precision and recall measures to allow comparison between the hill‐climber and GAs. It also varies elements of the GA, such as probability of a word being included, probability of mutation and population size in order to measure the effect of these variables. Different strategies such as elitist and non‐elitist methods are used, as well as roulette wheel and rank selection GAs.FindingsThe results of tests suggest that both techniques are, on average, better than the baseline, but, the implemented GA does not match the overall performance of a hill‐climber. The Rank selection algorithm does better on average than the Roulette Wheel algorithm. There is no evidence in this study that varying word inclusion probability, mutation probability or Elitist method make much difference to the overall results. Small population sizes do not appear to be as effective as larger population sizes.Research limitations/implicationsThe evidence provided here would suggest that being stuck in a local optima for the term selection optimization problem does not appear to be detrimental to the overall success of the hill‐climber. The evidence from term rank order would appear to provide extra useful evidence, which hill climbers can use efficiently, and effectively, to narrow the search space.Originality/valueThe paper represents the first attempt to compare hill‐climbers with GAs on a problem of this type.

This paper addresses the classification task of data mining (a form of supervised learning) in the context of an important bioinformatics problem, namely the prediction of protein functions. This problem is cast as a hierarchical classification problem. The protein functions to be predicted correspond to classes that are arranged in a hierarchical structure (this takes the form of a class tree). The main contribution of this paper is to propose a new Artificial Immune System that creates a new representation for proteins, in order to maximize the predictive accuracy of a hierarchical classification algorithm applied to the corresponding protein function prediction problem.

This paper addresses the classification task of data mining (a form of supervised learning) in the context of an important bioinformatics problem, namely the prediction of protein functions. This problem is cast as a hierarchical classification problem, where the protein functions to be predicted correspond to classes that are arranged in a hierarchical structure, in the form of a class tree. The main contribution of this paper is to propose a new Artificial Immune System that creates a new representation for proteins, in order to maximize the predictive accuracy of a hierarchical classification algorithm applied to the corresponding protein function prediction problem.

With the increase in information on the Internet, the strive to find more effective tools for distinguishing between interesting and non-interesting material is increasing. Drawing analogies from the biological immune system, this paper presents an immune-inspired algorithm called AISEC that is capable of continuously classifying electronic mail as interesting and non-interesting without the need for re-training. Comparisons are drawn with a naive Bayesian classifier and it is shown that the proposed system performs as well as the naive Bayesian system and has a great potential for augmentation.