Improving clustering with metabolic pathway data.

Abstract:

BACKGROUND:It is a common practice in bioinformatics to validate each group returned by a clustering algorithm through manual analysis, according to a-priori biological knowledge. This procedure helps finding functionally related patterns to propose hypotheses for their behavior and the biological processes involved. Therefore, this knowledge is used only as a second step, after data are just clustered according to their expression patterns. Thus, it could be very useful to be able to improve the clustering of biological data by incorporating prior knowledge into the cluster formation itself, in order to enhance the biological value of the clusters. RESULTS:A novel training algorithm for clustering is presented, which evaluates the biological internal connections of the data points while the clusters are being formed. Within this training algorithm, the calculation of distances among data points and neurons centroids includes a new term based on information from well-known metabolic pathways. The standard self-organizing map (SOM) training versus the biologically-inspired SOM (bSOM) training were tested with two real data sets of transcripts and metabolites from Solanum lycopersicum and Arabidopsis thaliana species. Classical data mining validation measures were used to evaluate the clustering solutions obtained by both algorithms. Moreover, a new measure that takes into account the biological connectivity of the clusters was applied. The results of bSOM show important improvements in the convergence and performance for the proposed clustering method in comparison to standard SOM training, in particular, from the application point of view. CONCLUSIONS:Analyses of the clusters obtained with bSOM indicate that including biological information during training can certainly increase the biological value of the clusters found with the proposed method. It is worth to highlight that this fact has effectively improved the results, which can simplify their further analysis.The algorithm is available as a web-demo at http://fich.unl.edu.ar/sinc/web-demo/bsom-lite/. The source code and the data sets supporting the results of this article are available at http://sourceforge.net/projects/sourcesinc/files/bsom.

journal_name

BMC Bioinformatics

journal_title

BMC bioinformatics

authors

Milone DH,Stegmayer G,López M,Kamenetzky L,Carrari F

doi

10.1186/1471-2105-15-101

subject

Has Abstract

pub_date

2014-04-10 00:00:00

pages

101

issn

1471-2105

pii

1471-2105-15-101

journal_volume

15

pub_type

杂志文章
  • Local functional descriptors for surface comparison based binding prediction.

    abstract:BACKGROUND:Molecular recognition in proteins occurs due to appropriate arrangements of physical, chemical, and geometric properties of an atomic surface. Similar surface regions should create similar binding interfaces. Effective methods for comparing surface regions can be used in identifying similar regions, and to p...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-13-314

    authors: Cipriano GM,Phillips GN Jr,Gleicher M

    更新日期:2012-11-24 00:00:00

  • Predicting protein functions by relaxation labelling protein interaction network.

    abstract:BACKGROUND:One of key issues in the post-genomic era is to assign functions to uncharacterized proteins. Since proteins seldom act alone; rather, they must interact with other biomolecular units to execute their functions. Thus, the functions of unknown proteins may be discovered through studying their interactions wit...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-11-S1-S64

    authors: Hu P,Jiang H,Emili A

    更新日期:2010-01-18 00:00:00

  • Detection of transposable elements by their compositional bias.

    abstract:BACKGROUND:Transposable elements (TE) are mobile genetic entities present in nearly all genomes. Previous work has shown that TEs tend to have a different nucleotide composition than the host genes, either considering codon usage bias or dinucleotide frequencies. We show here how these compositional differences can be ...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-5-94

    authors: Andrieu O,Fiston AS,Anxolabéhère D,Quesneville H

    更新日期:2004-07-13 00:00:00

  • Bioinformatics research in the Asia Pacific: a 2007 update.

    abstract::We provide a 2007 update on the bioinformatics research in the Asia-Pacific from the Asia Pacific Bioinformatics Network (APBioNet), Asia's oldest bioinformatics organisation set up in 1998. From 2002, APBioNet has organized the first International Conference on Bioinformatics (InCoB) bringing together scientists work...

    journal_title:BMC bioinformatics

    pub_type:

    doi:10.1186/1471-2105-9-S1-S1

    authors: Ranganathan S,Gribskov M,Tan TW

    更新日期:2008-01-01 00:00:00

  • Efficient use of unlabeled data for protein sequence classification: a comparative study.

    abstract:BACKGROUND:Recent studies in computational primary protein sequence analysis have leveraged the power of unlabeled data. For example, predictive models based on string kernels trained on sequences known to belong to particular folds or superfamilies, the so-called labeled data set, can attain significantly improved acc...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-10-S4-S2

    authors: Kuksa P,Huang PH,Pavlovic V

    更新日期:2009-04-29 00:00:00

  • Protein complexes identification based on go attributed network embedding.

    abstract:BACKGROUND:Identifying protein complexes from protein-protein interaction (PPI) network is one of the most important tasks in proteomics. Existing computational methods try to incorporate a variety of biological evidences to enhance the quality of predicted complexes. However, it is still a challenge to integrate diffe...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/s12859-018-2555-x

    authors: Xu B,Li K,Zheng W,Liu X,Zhang Y,Zhao Z,He Z

    更新日期:2018-12-20 00:00:00

  • IRSS: a web-based tool for automatic layout and analysis of IRES secondary structure prediction and searching system in silico.

    abstract:BACKGROUND:Internal ribosomal entry sites (IRESs) provide alternative, cap-independent translation initiation sites in eukaryotic cells. IRES elements are important factors in viral genomes and are also useful tools for bi-cistronic expression vectors. Most existing RNA structure prediction programs are unable to deal ...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-10-160

    authors: Wu TY,Hsieh CC,Hong JJ,Chen CY,Tsai YS

    更新日期:2009-05-27 00:00:00

  • Development and tuning of an original search engine for patent libraries in medicinal chemistry.

    abstract:BACKGROUND:The large increase in the size of patent collections has led to the need of efficient search strategies. But the development of advanced text-mining applications dedicated to patents of the biomedical field remains rare, in particular to address the needs of the pharmaceutical & biotech industry, which inten...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-15-S1-S15

    authors: Pasche E,Gobeill J,Kreim O,Oezdemir-Zaech F,Vachon T,Lovis C,Ruch P

    更新日期:2014-01-01 00:00:00

  • MRCQuant- an accurate LC-MS relative isotopic quantification algorithm on TOF instruments.

    abstract:BACKGROUND:Relative isotope abundance quantification, which can be used for peptide identification and differential peptide quantification, plays an important role in liquid chromatography-mass spectrometry (LC-MS)-based proteomics. However, several major issues exist in the relative isotopic quantification of peptides...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-12-74

    authors: Haskins WE,Petritis K,Zhang J

    更新日期:2011-03-15 00:00:00

  • A universal genomic coordinate translator for comparative genomics.

    abstract:BACKGROUND:Genomic duplications constitute major events in the evolution of species, allowing paralogous copies of genes to take on fine-tuned biological roles. Unambiguously identifying the orthology relationship between copies across multiple genomes can be resolved by synteny, i.e. the conserved order of genomic seq...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-15-227

    authors: Zamani N,Sundström G,Meadows JR,Höppner MP,Dainat J,Lantz H,Haas BJ,Grabherr MG

    更新日期:2014-06-30 00:00:00

  • Quartet decomposition server: a platform for analyzing phylogenetic trees.

    abstract:BACKGROUND:The frequent exchange of genetic material among prokaryotes means that extracting a majority or plurality phylogenetic signal from many gene families, and the identification of gene families that are in significant conflict with the plurality signal is a frequent task in comparative genomics, and especially ...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-13-123

    authors: Mao F,Williams D,Zhaxybayeva O,Poptsova M,Lapierre P,Gogarten JP,Xu Y

    更新日期:2012-06-07 00:00:00

  • Deconvolution of gene expression from cell populations across the C. elegans lineage.

    abstract:BACKGROUND:Knowledge of when and in which cells each gene is expressed across multicellular organisms is critical in understanding both gene function and regulation of cell type diversity. However, methods for measuring expression typically involve a trade-off between imaging-based methods, which give the precise locat...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-14-204

    authors: Burdick JT,Murray JI

    更新日期:2013-06-22 00:00:00

  • Fast batch searching for protein homology based on compression and clustering.

    abstract:BACKGROUND:In bioinformatics community, many tasks associate with matching a set of protein query sequences in large sequence datasets. To conduct multiple queries in the database, a common used method is to run BLAST on each original querey or on the concatenated queries. It is inefficient since it doesn't exploit the...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/s12859-017-1938-8

    authors: Ge H,Sun L,Yu J

    更新日期:2017-11-21 00:00:00

  • A Bayesian data fusion based approach for learning genome-wide transcriptional regulatory networks.

    abstract:BACKGROUND:Reverse engineering of transcriptional regulatory networks (TRN) from genomics data has always represented a computational challenge in System Biology. The major issue is modeling the complex crosstalk among transcription factors (TFs) and their target genes, with a method able to handle both the high number...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/s12859-020-3510-1

    authors: Sauta E,Demartini A,Vitali F,Riva A,Bellazzi R

    更新日期:2020-05-29 00:00:00

  • Computational evaluation of TIS annotation for prokaryotic genomes.

    abstract:BACKGROUND:Accurate annotation of translation initiation sites (TISs) is essential for understanding the translation initiation mechanism. However, the reliability of TIS annotation in widely used databases such as RefSeq is uncertain due to the lack of experimental benchmarks. RESULTS:Based on a homogeneity assumptio...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-9-160

    authors: Hu GQ,Zheng X,Ju LN,Zhu H,She ZS

    更新日期:2008-03-25 00:00:00

  • Evaluation of high-throughput functional categorization of human disease genes.

    abstract:BACKGROUND:Biological data that are well-organized by an ontology, such as Gene Ontology, enables high-throughput availability of the semantic web. It can also be used to facilitate high throughput classification of biomedical information. However, to our knowledge, no evaluation has been published on automating classi...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-8-S3-S7

    authors: Chen JL,Liu Y,Sam LT,Li J,Lussier YA

    更新日期:2007-05-09 00:00:00

  • Building blocks for automated elucidation of metabolites: natural product-likeness for candidate ranking.

    abstract:BACKGROUND:In metabolomics experiments, spectral fingerprints of metabolites with no known structural identity are detected routinely. Computer-assisted structure elucidation (CASE) has been used to determine the structural identities of unknown compounds. It is generally accepted that a single 1D NMR spectrum or mass ...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-15-234

    authors: Jayaseelan KV,Steinbeck C

    更新日期:2014-07-05 00:00:00

  • Computational approaches for isoform detection and estimation: good and bad news.

    abstract:BACKGROUND:The main goal of the whole transcriptome analysis is to correctly identify all expressed transcripts within a specific cell/tissue--at a particular stage and condition--to determine their structures and to measure their abundances. RNA-seq data promise to allow identification and quantification of transcript...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-15-135

    authors: Angelini C,De Canditiis D,De Feis I

    更新日期:2014-05-09 00:00:00

  • Inferring latent task structure for Multitask Learning by Multiple Kernel Learning.

    abstract:BACKGROUND:The lack of sufficient training data is the limiting factor for many Machine Learning applications in Computational Biology. If data is available for several different but related problem domains, Multitask Learning algorithms can be used to learn a model based on all available information. In Bioinformatics...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-11-S8-S5

    authors: Widmer C,Toussaint NC,Altun Y,Rätsch G

    更新日期:2010-10-26 00:00:00

  • RocSampler: regularizing overlapping protein complexes in protein-protein interaction networks.

    abstract:BACKGROUND:In recent years, protein-protein interaction (PPI) networks have been well recognized as important resources to elucidate various biological processes and cellular mechanisms. In this paper, we address the problem of predicting protein complexes from a PPI network. This problem has two difficulties. One is r...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/s12859-017-1920-5

    authors: Maruyama O,Kuwahara Y

    更新日期:2017-12-06 00:00:00

  • Systematic exploration of guide-tree topology effects for small protein alignments.

    abstract:BACKGROUND:Guide-trees are used as part of an essential heuristic to enable the calculation of multiple sequence alignments. They have been the focus of much method development but there has been little effort at determining systematically, which guide-trees, if any, give the best alignments. Some guide-tree constructi...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-15-338

    authors: Sievers F,Hughes GM,Higgins DG

    更新日期:2014-10-04 00:00:00

  • Linear predictive coding representation of correlated mutation for protein sequence alignment.

    abstract:BACKGROUND:Although both conservation and correlated mutation (CM) are important information reflecting the different sorts of context in multiple sequence alignment, most of alignment methods use sequence profiles that only represent conservation. There is no general way to represent correlated mutation and incorporat...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-11-S2-S2

    authors: Jeong CS,Kim D

    更新日期:2010-04-16 00:00:00

  • eL-DASionator: an LDAS upload file generator.

    abstract:BACKGROUND:The Distributed Annotation System (DAS) allows merging of DNA sequence annotations from multiple sources and provides a single annotation view. A straightforward way to establish a DAS annotation server is to use the "Lightweight DAS" server (LDAS). Onto this type of server, annotations can be uploaded as fl...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-5-55

    authors: Negre V,Grunau C

    更新日期:2004-05-07 00:00:00

  • CNV-WebStore: online CNV analysis, storage and interpretation.

    abstract:BACKGROUND:Microarray technology allows the analysis of genomic aberrations at an ever increasing resolution, making functional interpretation of these vast amounts of data the main bottleneck in routine implementation of high resolution array platforms, and emphasising the need for a centralised and easy to use CNV da...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-12-4

    authors: Vandeweyer G,Reyniers E,Wuyts W,Rooms L,Kooy RF

    更新日期:2011-01-05 00:00:00

  • An efficient visualization tool for the analysis of protein mutation matrices.

    abstract:BACKGROUND:It is useful to develop a tool that would effectively describe protein mutation matrices specifically geared towards the identification of mutations that produce either wanted or unwanted effects, such as an increase or decrease in affinity, or a predisposition towards misfolding. Here, we describe a tool wh...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-9-218

    authors: David MP,Lapid CM,Daria VR

    更新日期:2008-04-28 00:00:00

  • A stepwise framework for the normalization of array CGH data.

    abstract:BACKGROUND:In two-channel competitive genomic hybridization microarray experiments, the ratio of the two fluorescent signal intensities at each spot on the microarray is commonly used to infer the relative amounts of the test and reference sample DNA levels. This ratio may be influenced by systematic measurement effect...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-6-274

    authors: Khojasteh M,Lam WL,Ward RK,MacAulay C

    更新日期:2005-11-18 00:00:00

  • Bayesian Unidimensional Scaling for visualizing uncertainty in high dimensional datasets with latent ordering of observations.

    abstract:BACKGROUND:Detecting patterns in high-dimensional multivariate datasets is non-trivial. Clustering and dimensionality reduction techniques often help in discerning inherent structures. In biological datasets such as microbial community composition or gene expression data, observations can be generated from a continuous...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/s12859-017-1790-x

    authors: Nguyen LH,Holmes S

    更新日期:2017-09-13 00:00:00

  • In silico design of targeted SRM-based experiments.

    abstract::Selected reaction monitoring (SRM)-based proteomics approaches enable highly sensitive and reproducible assays for profiling of thousands of peptides in one experiment. The development of such assays involves the determination of retention time, detectability and fragmentation properties of peptides, followed by an op...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-13-S16-S8

    authors: Nahnsen S,Kohlbacher O

    更新日期:2012-01-01 00:00:00

  • Impact of polymorphic transposable elements on transcription in lymphoblastoid cell lines from public data.

    abstract:BACKGROUND:Transposable elements (TEs) are DNA sequences able to mobilize themselves and to increase their copy-number in the host genome. In the past, they have been considered mainly selfish DNA without evident functions. Nevertheless, currently they are believed to have been extensively involved in the evolution of ...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/s12859-019-3113-x

    authors: Spirito G,Mangoni D,Sanges R,Gustincich S

    更新日期:2019-11-22 00:00:00

  • An extensible six-step methodology to automatically generate fuzzy DSSs for diagnostic applications.

    abstract:BACKGROUND:The diagnosis of many diseases can be often formulated as a decision problem; uncertainty affects these problems so that many computerized Diagnostic Decision Support Systems (in the following, DDSSs) have been developed to aid the physician in interpreting clinical data and thus to improve the quality of th...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-14-S1-S4

    authors: d'Acierno A,Esposito M,De Pietro G

    更新日期:2013-01-01 00:00:00