Catalogue Search | MBRL
Are you sure you want to remove the book from the shelf?
{{itemTitle}}
903,181
result(s) for
"software and technology"
Sort by:
COBRApy: COnstraints-Based Reconstruction and Analysis for Python
Background
COnstraint-Based Reconstruction and Analysis (COBRA) methods are widely used for genome-scale modeling of metabolic networks in both prokaryotes and eukaryotes. Due to the successes with metabolism, there is an increasing effort to apply COBRA methods to reconstruct and analyze integrated models of cellular processes. The COBRA Toolbox for MATLAB is a leading software package for genome-scale analysis of metabolism; however, it was not designed to elegantly capture the complexity inherent in integrated biological networks and lacks an integration framework for the multiomics data used in systems biology. The openCOBRA Project is a community effort to promote constraints-based research through the distribution of freely available software.
Results
Here, we describe COBRA for Python (COBRApy), a Python package that provides support for basic COBRA methods. COBRApy is designed in an object-oriented fashion that facilitates the representation of the complex biological processes of metabolism and gene expression. COBRApy does not require MATLAB to function; however, it includes an interface to the COBRA Toolbox for MATLAB to facilitate use of legacy codes. For improved performance, COBRApy includes parallel processing support for computationally intensive processes.
Conclusion
COBRApy is an object-oriented framework designed to meet the computational challenges associated with the next generation of stoichiometric constraint-based models and high-density omics data sets.
Availability
http://opencobra.sourceforge.net/
Journal Article
An additional k-means clustering step improves the biological features of WGCNA gene co-expression networks
Background
Weighted Gene Co-expression Network Analysis (WGCNA) is a widely used R software package for the generation of gene co-expression networks (GCN). WGCNA generates both a GCN and a derived partitioning of clusters of genes (modules). We propose k-means clustering as an additional processing step to conventional WGCNA, which we have implemented in the R package km2gcn (k-means to gene co-expression network,
https://github.com/juanbot/km2gcn
).
Results
We assessed our method on networks created from UKBEC data (10 different human brain tissues), on networks created from GTEx data (42 human tissues, including 13 brain tissues), and on simulated networks derived from GTEx data. We observed substantially improved module properties, including: (1) few or zero misplaced genes; (2) increased counts of replicable clusters in alternate tissues (x3.1 on average); (3) improved enrichment of Gene Ontology terms (seen in 48/52 GCNs) (4) improved cell type enrichment signals (seen in 21/23 brain GCNs); and (5) more accurate partitions in simulated data according to a range of similarity indices.
Conclusions
The results obtained from our investigations indicate that our k-means method, applied as an adjunct to standard WGCNA, results in better network partitions. These improved partitions enable more fruitful downstream analyses, as gene modules are more biologically meaningful.
Journal Article
Robust and efficient parameter estimation in dynamic models of biological systems
Background
Dynamic modelling provides a systematic framework to understand function in biological systems. Parameter estimation in nonlinear dynamic models remains a very challenging inverse problem due to its nonconvexity and ill-conditioning. Associated issues like overfitting and local solutions are usually not properly addressed in the systems biology literature despite their importance.
Here we present a method for robust and efficient parameter estimation which uses two main strategies to surmount the aforementioned difficulties: (i) efficient global optimization to deal with nonconvexity, and (ii) proper regularization methods to handle ill-conditioning. In the case of regularization, we present a detailed critical comparison of methods and guidelines for properly tuning them. Further, we show how regularized estimations ensure the best trade-offs between bias and variance, reducing overfitting, and allowing the incorporation of prior knowledge in a systematic way.
Results
We illustrate the performance of the presented method with seven case studies of different nature and increasing complexity, considering several scenarios of data availability, measurement noise and prior knowledge. We show how our method ensures improved estimations with faster and more stable convergence. We also show how the calibrated models are more generalizable. Finally, we give a set of simple guidelines to apply this strategy to a wide variety of calibration problems.
Conclusions
Here we provide a parameter estimation strategy which combines efficient global optimization with a regularization scheme. This method is able to calibrate dynamic models in an efficient and robust way, effectively fighting overfitting and allowing the incorporation of prior information.
Journal Article
Social machines : the coming collision of artificial intelligence, social networking, and humanity
\"Will your next doctor be a human being-or a machine? Will you have a choice? If you do, what should you know before making it? This book introduces the reader to the pitfalls and promises of artificial intelligence in its modern incarnation and the growing trend of systems to 'reach off the Web' into the real world.\"--Publisher's description.
Book
Parameter identifiability analysis and visualization in large-scale kinetic models of biosystems
Background
Kinetic models of biochemical systems usually consist of ordinary differential equations that have many unknown parameters. Some of these parameters are often practically unidentifiable, that is, their values cannot be uniquely determined from the available data. Possible causes are lack of influence on the measured outputs, interdependence among parameters, and poor data quality. Uncorrelated parameters can be seen as the key tuning knobs of a predictive model. Therefore, before attempting to perform parameter estimation (model calibration) it is important to characterize the subset(s) of identifiable parameters and their interplay. Once this is achieved, it is still necessary to perform parameter estimation, which poses additional challenges.
Methods
We present a methodology that (i) detects high-order relationships among parameters, and (ii) visualizes the results to facilitate further analysis. We use a collinearity index to quantify the correlation between parameters in a group in a computationally efficient way. Then we apply integer optimization to find the largest groups of uncorrelated parameters. We also use the collinearity index to identify small groups of highly correlated parameters. The results files can be visualized using Cytoscape, showing the identifiable and non-identifiable groups of parameters together with the model structure in the same graph.
Results
Our contributions alleviate the difficulties that appear at different stages of the identifiability analysis and parameter estimation process. We show how to combine global optimization and regularization techniques for calibrating medium and large scale biological models with moderate computation times. Then we evaluate the practical identifiability of the estimated parameters using the proposed methodology. The identifiability analysis techniques are implemented as a MATLAB toolbox called VisId, which is freely available as open source from GitHub (
https://github.com/gabora/visid
).
Conclusions
Our approach is geared towards scalability. It enables the practical identifiability analysis of dynamic models of large size, and accelerates their calibration. The visualization tool allows modellers to detect parts that are problematic and need refinement or reformulation, and provides experimentalists with information that can be helpful in the design of new experiments.
Journal Article
Escher-FBA: a web application for interactive flux balance analysis
Background
Flux balance analysis (FBA) is a widely-used method for analyzing metabolic networks. However, most existing tools that implement FBA require downloading software and writing code. Furthermore, FBA generates predictions for metabolic networks with thousands of components, so meaningful changes in FBA solutions can be difficult to identify. These challenges make it difficult for beginners to learn how FBA works.
Results
To meet this need, we present Escher-FBA, a web application for interactive FBA simulations within a pathway visualization. Escher-FBA allows users to set flux bounds, knock out reactions, change objective functions, upload metabolic models, and generate high-quality figures without downloading software or writing code. We provide detailed instructions on how to use Escher-FBA to replicate several FBA simulations that generate real scientific hypotheses.
Conclusions
We designed Escher-FBA to be as intuitive as possible so that users can quickly and easily understand the core concepts of FBA. The web application can be accessed at
https://sbrg.github.io/escher-fba
.
Journal Article