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Research: The body composition model is closely related to the physiological characteristics of the human body. At the same time there can be a large number of physiological characteristics, many of which may be redundant or irrelevant. In existing human physiological feature selection algorithms, it is difficult to overcome the impact that redundancy and irrelevancy may have on human body composition modeling. This suggests a role for selection algorithms, where human physiological characteristics are identified using a combination of filtering and improved clustering. To do this, a feature filtering method based on Hilbert-Schmidt dependency criteria is first of all used to eliminate irrelevant features. After this, it is possible to use improved Chameleon clustering to increase the combination of sub-clusters amongst the characteristics, thereby removing any redundant features to obtain a candidate feature set for human body composition modeling. Method We report here on the use of an algorithm to filter the characteristic parameters in INBODY770 (this paper used INBODY 770 as body composition analyzer.) measurement data, which has three commonly-used impedance bands (1 kHZ, 250 kHZ, 500 kHZ). This algorithm is able to filter out parameters that have a low correlation with body composition BFM. The algorithm is also able to draw upon improved clustering techniques to reduce the initial feature set from 29 parameters to 10 parameters for any parameters of the 250 kHZ band that remain after filtering. In addition, we also examined the impact of different sample sizes on feature selection. Result: The proposed algorithm is able to remove irrelevant and redundant features and the resulting correlation between the model and the body composition (BFM which is a whole body fat evaluation can better assess the body's overall fat and muscle composition.) is 0.978, thereby providing an improved model for prediction with a relative error of less than 0.12. [ABSTRACT FROM AUTHOR]

The sampling of scale-free networks in Molecular Biology is usually achieved by growing networks from a seed using recursive algorithms with elementary moves which include the addition and deletion of nodes and bonds. These algorithms include the Barabási-Albert algorithm. Later algorithms, such as the Duplication-Divergence algorithm, the Solé algorithm and the iSite algorithm, were inspired by biological processes underlying the evolution of protein networks, and the networks they produce differ essentially from networks grown by the Barabási-Albert algorithm. In this paper the mean field analysis of these algorithms is reconsidered, and extended to variant and modified implementations of the algorithms. The degree sequences of scale-free networks decay according to a powerlaw distribution, namely P(k) ∼ k− γ, where γ is a scaling exponent. We derive mean field expressions for γ, and test these by numerical simulations. Generally, good agreement is obtained. We also found that some algorithms do not produce scale-free networks (for example some variant Barabási-Albert and Solé networks). [ABSTRACT FROM AUTHOR]

Background: Non-coding RNAs perform a wide range of functions inside the living cells that are related to their structures. Several algorithms have been proposed to predict RNA secondary structure based on minimum free energy. Low prediction accuracy of these algorithms indicates that free energy alone is not sufficient to predict the functional secondary structure. Recently, the obtained information from the SHAPE experiment greatly improves the accuracy of RNA secondary structure prediction by adding this information to the thermodynamic free energy as pseudo-free energy. Method: In this paper, a new method is proposed to predict RNA secondary structure based on both free energy and SHAPE pseudo-free energy. For each RNA sequence, a population of secondary structures is constructed and their SHAPE data are simulated. Then, an evolutionary algorithm is used to improve each structure based on both free and pseudo-free energies. Finally, a structure with minimum summation of free and pseudo-free energies is considered as the predicted RNA secondary structure. Results and Conclusions: Computationally simulating the SHAPE data for a given RNA sequence requires its secondary structure. Here, we overcome this limitation by employing a population of secondary structures. This helps us to simulate the SHAPE data for any RNA sequence and consequently improves the accuracy of RNA secondary structure prediction as it is confirmed by our experiments. The source code and web server of our proposed method are freely available at . [ABSTRACT FROM AUTHOR]

Protein-protein interactions integrated with disease-gene associations represent important information for revealing protein functions under disease conditions to improve the prevention, diagnosis, and treatment of complex diseases. Although several studies have attempted to identify disease-gene associations, the number of possible disease-gene associations is very small. High-throughput technologies have been established experimentally to identify the association between genes and diseases. However, these techniques are still quite expensive, time consuming, and even difficult to perform. Thus, based on currently available data and knowledge, computational methods have served as alternatives to provide more possible associations to increase our understanding of disease mechanisms. Here, a new network-based algorithm, namely, Disease-Gene Association (DGA), was developed to calculate the association score of a query gene to a new possible set of diseases. First, a large-scale protein interaction network was constructed, and the relationship between two interacting proteins was calculated with regard to the disease relationship. Novel plausible disease-gene pairs were identified and statistically scored by our algorithm using neighboring protein information. The results yielded high performance for disease-gene prediction, with an F-measure of 0.78 and an AUC of 0.86. To identify promising candidates of disease-gene associations, the association coverage of genes and diseases were calculated and used with the association score to perform gene and disease selection. Based on gene selection, we identified promising pairs that exhibited evidence related to several important diseases, e.g., inflammation, lipid metabolism, inborn errors, xanthomatosis, cerebellar ataxia, cognitive deterioration, malignant neoplasms of the skin and malignant tumors of the cervix. Focusing on disease selection, we identified target genes that were important to blistering skin diseases and muscular dystrophy. In summary, our developed algorithm is simple, efficiently identifies disease–gene associations in the protein-protein interaction network and provides additional knowledge regarding disease-gene associations. This method can be generalized to other association studies to further advance biomedical science. [ABSTRACT FROM AUTHOR]

Some female moths attract male moths by emitting series of pulses of pheromone filaments propagating downwind. The turbulent nature of the wind creates a complex flow environment, and causes the filaments to propagate in the form of patches with varying concentration distributions. Inspired by moth navigation capabilities, we propose a navigation strategy that enables a flier to locate an upwind pulsating odor source in a windy environment using a single threshold-based detection sensor. This optomotor anemotaxis strategy is constructed based on the physical properties of the turbulent flow carrying discrete puffs of odor and does not involve learning, memory, complex decision making or statistical methods. We suggest that in turbulent plumes from a pulsating point source, an instantaneously measurable quantity referred as a “puff crossing time”, improves the success rate as compared to the navigation strategies based on temporally regular zigzags due to intermittent contact, or an “internal counter”, that do not use this information. Using computer simulations of fliers navigating in turbulent plumes of the pulsating point source for varying flow parameters such as turbulent intensities, plume meandering and wind gusts, we obtained statistics of navigation paths towards the pheromone sources. We quantified the probability of a successful navigation as well as the flight parameters such as the time spent searching and the total flight time, with respect to different turbulent intensities, meandering or gusts. The concepts learned using this model may help to design odor-based navigation of miniature airborne autonomous vehicles. [ABSTRACT FROM AUTHOR]

RNA sequencing (RNA-Seq) is a powerful technique for the gene-expression profiling of organisms that uses the capabilities of next-generation sequencing technologies. Developing gene-expression-based classification algorithms is an emerging powerful method for diagnosis, disease classification and monitoring at molecular level, as well as providing potential markers of diseases. Most of the statistical methods proposed for the classification of gene-expression data are either based on a continuous scale (eg. microarray data) or require a normal distribution assumption. Hence, these methods cannot be directly applied to RNA-Seq data since they violate both data structure and distributional assumptions. However, it is possible to apply these algorithms with appropriate modifications to RNA-Seq data. One way is to develop count-based classifiers, such as Poisson linear discriminant analysis and negative binomial linear discriminant analysis. Another way is to bring the data closer to microarrays and apply microarray-based classifiers. In this study, we compared several classifiers including PLDA with and without power transformation, NBLDA, single SVM, bagging SVM (bagSVM), classification and regression trees (CART), and random forests (RF). We also examined the effect of several parameters such as overdispersion, sample size, number of genes, number of classes, differential-expression rate, and the transformation method on model performances. A comprehensive simulation study is conducted and the results are compared with the results of two miRNA and two mRNA experimental datasets. The results revealed that increasing the sample size, differential-expression rate and decreasing the dispersion parameter and number of groups lead to an increase in classification accuracy. Similar with differential-expression studies, the classification of RNA-Seq data requires careful attention when handling data overdispersion. We conclude that, as a count-based classifier, the power transformed PLDA and, as a microarray-based classifier, vst or rlog transformed RF and SVM classifiers may be a good choice for classification. An R/BIOCONDUCTOR package, MLSeq, is freely available at . [ABSTRACT FROM AUTHOR]

The identification of modules or communities in sets of related variables is a key step in the analysis and modeling of biological systems. Procedures for this identification are usually designed to allow fast analyses of very large datasets and may produce suboptimal results when these sets are of a small to moderate size. This article introduces BoCluSt, a new, somewhat more computationally intensive, community detection procedure that is based on combining a clustering algorithm with a measure of stability under bootstrap resampling. Both computer simulation and analyses of experimental data showed that BoCluSt can outperform current procedures in the identification of multiple modules in data sets with a moderate number of variables. In addition, the procedure provides users with a null distribution of results to evaluate the support for the existence of community structure in the data. BoCluSt takes individual measures for a set of variables as input, and may be a valuable and robust exploratory tool of network analysis, as it provides 1) an estimation of the best partition of variables into modules, 2) a measure of the support for the existence of modular structures, and 3) an overall description of the whole structure, which may reveal hierarchical modular situations, in which modules are composed of smaller sub-modules. [ABSTRACT FROM AUTHOR]

The use of computational modeling algorithms to guide the design of novel enzyme catalysts is a rapidly growing field. Force-field based methods have now been used to engineer both enzyme specificity and activity. However, the proportion of designed mutants with the intended function is often less than ten percent. One potential reason for this is that current force-field based approaches are trained on indirect measures of function rather than direct correlation to experimentally-determined functional effects of mutations. We hypothesize that this is partially due to the lack of data sets for which a large panel of enzyme variants has been produced, purified, and kinetically characterized. Here we report the kcat and KM values of 100 purified mutants of a glycoside hydrolase enzyme. We demonstrate the utility of this data set by using machine learning to train a new algorithm that enables prediction of each kinetic parameter based on readily-modeled structural features. The generated dataset and analyses carried out in this study not only provide insight into how this enzyme functions, they also provide a clear path forward for the improvement of computational enzyme redesign algorithms. [ABSTRACT FROM AUTHOR]