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Extended CADLIVE: a novel graphical notation for design of biochemical network maps and computational pathway analysis.

ABSTRACT: Biochemical network maps are helpful for understanding the mechanism of how a collection of biochemical reactions generate particular functions within a cell. We developed a new and computationally feasible notation that enables drawing a wide resolution map from the domain-level reactions to phenomenological events and implemented it as the extended GUI network constructor of CADLIVE (Computer-Aided Design of LIVing systEms). The new notation presents 'Domain expansion' for proteins and RNAs, 'Virtual reaction and nodes' that are responsible for illustrating domain-based interaction and 'InnerLink' that links real complex nodes to virtual nodes to illustrate the exact components of the real complex. A modular box is also presented that packs related reactions as a module or a subnetwork, which gives CADLIVE a capability to draw biochemical maps in a hierarchical modular architecture. Furthermore, we developed a pathway search module for virtual knockout mutants as a built-in application of CADLIVE. This module analyzes gene function in the same way as molecular genetics, which simulates a change in mutant phenotypes or confirms the validity of the network map. The extended CADLIVE with the newly proposed notation is demonstrated to be feasible for computational simulation and analysis.

SUBMITTER: Kurata H

PROVIDER: S-EPMC2175333 | biostudies-literature | 2007

REPOSITORIES: biostudies-literature

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Extended CADLIVE: a novel graphical notation for design of biochemical network maps and computational pathway analysis.

Kurata Hiroyuki H Inoue Kentaro K Maeda Kazuhiro K Masaki Koichi K Shimokawa Yuki Y Zhao Quanyu Q

Nucleic acids research 20071016 20

Biochemical network maps are helpful for understanding the mechanism of how a collection of biochemical reactions generate particular functions within a cell. We developed a new and computationally feasible notation that enables drawing a wide resolution map from the domain-level reactions to phenomenological events and implemented it as the extended GUI network constructor of CADLIVE (Computer-Aided Design of LIVing systEms). The new notation presents 'Domain expansion' for proteins and RNAs, ' ...[more]

PMID: 17940089

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Project description:System design is recognized as one of the most critical components of a software system that bridges system requirements and coding. System design also has a significant impact on testing and maintenance activities, and on further improvements during the lifespan of the software system. Software design should reflect all necessary components of the requirements in a clear and understandable manner by all stakeholders of the software system. To distinguish system elements, separation of concerns in software design is suggested. In this respect, identification of the user tasks, i.e., the tasks that need to be performed by the user, is not currently reflected explicitly in system design documents. Our main assumption in this study is that software quality can be improved significantly by clearly identifying the user tasks from those that need to be performed by the computer system itself. Additionally, what we propose has the potential to better reflect the user requirements and main objectives of the system on the software design and thereby to improve software quality. The main aim of this study is to introduce a novel notation for software developers in the frame of UML Activity Diagram (UML-AD) that enables designers to identify the user tasks and define them separately from the system tasks. For this purpose, an extension of UML-AD, named UML-ADE (UML-Activity Diagram Extended) was proposed. Afterwards, it was implemented in a serious game case for which the specification of user tasks is extremely important. Finally, its effectiveness was analyzed and compared to UML-AD experimentally with 72 participants. The defect detection performance of the participants on both diagrams with two real-life serious game scenarios was evaluated. Results show a higher level of understandability for those using UML-ADE, which in turn may indicate a better design and higher software quality. The results encourage researchers to develop specific design representations dedicated to task design to improve system quality and to conduct further evaluations of the impact of these design on each of the above mentioned potential benefits for the software systems.

Project description:BackgroundThe rising availability of assemblies of large genomes (e.g. bread and durum wheat, barley) and their annotations deliver the basis to graphically present genome organization of parents and progenies on a physical scale. Genetic maps are a very important tool for breeders but often represent distorted models of the actual chromosomes, e.g., in centromeric and telomeric regions. This biased picture might lead to imprecise assumptions and estimations about the size and complexity of genetic regions and the selection of suitable molecular markers for the incorporation of traits in breeding populations or near-isogenic lines (NILs). Some software packages allow the graphical illustration of genotypic data, but to the best of our knowledge, suitable software packages that allow the comparison of genotypic data on the physical and genetic scale are currently unavailable.ResultsWe developed a simple Java-based-software called GenoTypeMapper (GTM) for comparing genotypic data on genetic and physical maps and tested it for effectiveness on data of two NILs that carry QTL-regions for drought stress tolerance from wild emmer on chromosome 2BS and 7AS. Both NILs were more tolerant to drought stress than their recurrent parents but exhibited additional undesirable traits such as delayed heading time.ConclusionsIn this article, we illustrate that the software easily allows users to display and identify additional chromosomal introgressions in both NILs originating from the wild emmer parent. The ability to detect and diminish linkage drag can be of particular interest for pre-breeding purposes and the developed software is a well-suited tool in this respect. The software is based on a simple allele-matching algorithm between the offspring and parents of a crossing scheme. Despite this simple approach, GTM seems to be the only software that allows us to analyse, illustrate and compare genotypic data of offspring of different crossing schemes with up to four parents in two different maps. So far, up to 500 individuals with a maximum number of 50,000 markers can be examined with the software. The main limitation that hampers the performance of the software is the number of markers that are examined in parallel. Since each individual must be analysed separately, a maximum of ten individuals can currently be displayed in a single run. On a computer with an Intel five processor of the 8th generation, GTM can reliably either analyse a single individual with up to 12,000 markers or ten individuals with up to 3,600 markers in less than five seconds. Future work aims to improve the performance of the software so that more complex crossing schemes with more parents and more markers can be analysed.

Dataset Information

Extended CADLIVE: a novel graphical notation for design of biochemical network maps and computational pathway analysis.

Publications

Extended CADLIVE: a novel graphical notation for design of biochemical network maps and computational pathway analysis.

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