TY - GEN A1 - Ebert, Birgitta E. A1 - Lamprecht, Anna-Lena A1 - Steffen, Bernhard A1 - Blank, Lars M. T1 - Flux-P BT - automating metabolic flux analysis T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - Quantitative knowledge of intracellular fluxes in metabolic networks is invaluable for inferring metabolic system behavior and the design principles of biological systems. However, intracellular reaction rates can not often be calculated directly but have to be estimated; for instance, via 13C-based metabolic flux analysis, a model-based interpretation of stable carbon isotope patterns in intermediates of metabolism. Existing software such as FiatFlux, OpenFLUX or 13CFLUX supports experts in this complex analysis, but requires several steps that have to be carried out manually, hence restricting the use of this software for data interpretation to a rather small number of experiments. In this paper, we present Flux-P as an approach to automate and standardize 13C-based metabolic flux analysis, using the Bio-jETI workflow framework. Exemplarily based on the FiatFlux software, it demonstrates how services can be created that carry out the different analysis steps autonomously and how these can subsequently be assembled into software workflows that perform automated, high-throughput intracellular flux analysis of high quality and reproducibility. Besides significant acceleration and standardization of the data analysis, the agile workflow-based realization supports flexible changes of the analysis workflows on the user level, making it easy to perform custom analyses. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1054 KW - 13C metabolic flux analysis KW - MFA KW - high-throughput analysis KW - scientific workflows KW - workflow management KW - Bio-jETI Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-476696 SN - 1866-8372 IS - 1054 SP - 872 EP - 890 ER - TY - GEN A1 - Lamprecht, Anna-Lena A1 - Naujokat, Stefan A1 - Margaria, Tiziana A1 - Steffen, Bernhard T1 - Semantics-based composition of EMBOSS services T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - Background More than in other domains the heterogeneous services world in bioinformatics demands for a methodology to classify and relate resources in a both human and machine accessible manner. The Semantic Web, which is meant to address exactly this challenge, is currently one of the most ambitious projects in computer science. Collective efforts within the community have already led to a basis of standards for semantic service descriptions and meta-information. In combination with process synthesis and planning methods, such knowledge about types and services can facilitate the automatic composition of workflows for particular research questions. Results In this study we apply the synthesis methodology that is available in the Bio-jETI workflow management framework for the semantics-based composition of EMBOSS services. EMBOSS (European Molecular Biology Open Software Suite) is a collection of 350 tools (March 2010) for various sequence analysis tasks, and thus a rich source of services and types that imply comprehensive domain models for planning and synthesis approaches. We use and compare two different setups of our EMBOSS synthesis domain: 1) a manually defined domain setup where an intuitive, high-level, semantically meaningful nomenclature is applied to describe the input/output behavior of the single EMBOSS tools and their classifications, and 2) a domain setup where this information has been automatically derived from the EMBOSS Ajax Command Definition (ACD) files and the EMBRACE Data and Methods ontology (EDAM). Our experiments demonstrate that these domain models in combination with our synthesis methodology greatly simplify working with the large, heterogeneous, and hence manually intractable EMBOSS collection. However, they also show that with the information that can be derived from the (current) ACD files and EDAM ontology alone, some essential connections between services can not be recognized. Conclusions Our results show that adequate domain modeling requires to incorporate as much domain knowledge as possible, far beyond the mere technical aspects of the different types and services. Finding or defining semantically appropriate service and type descriptions is a difficult task, but the bioinformatics community appears to be on the right track towards a Life Science Semantic Web, which will eventually allow automatic service composition methods to unfold their full potential. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 956 KW - service description KW - synthesis algorithm KW - input type KW - synthesis methodology KW - electronic tool integration Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-431830 SN - 1866-8372 IS - 956 ER - TY - GEN A1 - Lamprecht, Anna-Lena A1 - Margaria, Tiziana A1 - Steffen, Bernhard A1 - Sczyrba, Alexander A1 - Hartmeier, Sven A1 - Giegerich, Robert T1 - GeneFisher-P BT - variations of GeneFisher as processes in Bio-jETI T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - Background: PCR primer design is an everyday, but not trivial task requiring state-of-the-art software. We describe the popular tool GeneFisher and explain its recent restructuring using workflow techniques. We apply a service-oriented approach to model and implement GeneFisher-P, a process-based version of the GeneFisher web application, as a part of the Bio-jETI platform for service modeling and execution. We show how to introduce a flexible process layer to meet the growing demand for improved user-friendliness and flexibility. Results: Within Bio-jETI, we model the process using the jABC framework, a mature model-driven, service-oriented process definition platform. We encapsulate remote legacy tools and integrate web services using jETI, an extension of the jABC for seamless integration of remote resources as basic services, ready to be used in the process. Some of the basic services used by GeneFisher are in fact already provided as individual web services at BiBiServ and can be directly accessed. Others are legacy programs, and are made available to Bio-jETI via the jETI technology. The full power of service-based process orientation is required when more bioinformatics tools, available as web services or via jETI, lead to easy extensions or variations of the basic process. This concerns for instance variations of data retrieval or alignment tools as provided by the European Bioinformatics Institute (EBI). Conclusions: The resulting service-and process-oriented GeneFisher-P demonstrates how basic services from heterogeneous sources can be easily orchestrated in the Bio-jETI platform and lead to a flexible family of specialized processes tailored to specific tasks. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 868 KW - Basic Service KW - European Bioinformatics Institute KW - Computation Tree Logic KW - Polymerase Chain Reaction Experiment KW - Input Validation Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-434241 SN - 1866-8372 IS - 868 ER - TY - JOUR A1 - Naujokat, Stefan A1 - Neubauer, Johannes A1 - Lamprecht, Anna-Lena A1 - Steffen, Bernhard A1 - Joerges, Sven A1 - Margaria, Tiziana T1 - Simplicity-first model-based plug-in development JF - Software : practice & experience N2 - In this article, we present our experience with over a decade of strict simplicity orientation in the development and evolution of plug-ins. The point of our approach is to enable our graphical modeling framework jABC to capture plug-in development in a domain-specific setting. The typically quite tedious and technical plug-in development is shifted this way from a programming task to the modeling level, where it can be mastered also by application experts without programming expertise. We show how the classical plug-in development profits from a systematic domain-specific API design and how the level of abstraction achieved this way can be further enhanced by defining adequate building blocks for high-level plug-in modeling. As the resulting plug-in models can be compiled and deployed automatically, our approach decomposes plug-in development into three phases where only the realization phase requires plug-in-specific effort. By using our modeling framework jABC, this effort boils down to graphical, tool-supported process modeling. Furthermore, we support the automatic completion of process sketches for executability. All this will be illustrated along the most recent plug-in-based evolution of the jABC framework, which witnessed quite some bootstrapping effects. KW - plug-ins KW - simplicity KW - domain-specific APIs KW - process modeling KW - bootstrapping KW - evolution KW - code generation KW - loose programming KW - dynamic service binding Y1 - 2014 U6 - https://doi.org/10.1002/spe.2243 SN - 0038-0644 SN - 1097-024X VL - 44 IS - 3 SP - 277 EP - 297 PB - Wiley-Blackwell CY - Hoboken ER - TY - JOUR A1 - Lamprecht, Anna-Lena A1 - Naujokat, Stefan A1 - Schaefer, Ina T1 - Variability Management beyond Feature Models JF - COMPUTER N2 - When new customer and regulatory requirements arise, the ability to quickly adapt business information system processes is crucial to stay ahead of competitors. A proposed synthesis-based framework enables the development of business processes that automatically yield fully executable variants. Y1 - 2013 SN - 0018-9162 SN - 1558-0814 VL - 46 IS - 11 SP - 48 EP - 54 PB - IEEE COMPUTER SOC CY - LOS ALAMITOS ER - TY - BOOK A1 - Lamprecht, Anna-Lena A1 - Magaria, Tiziana A1 - Steffen, Bernhard A1 - Sczyrba, Alexander A1 - Hartmeier, Sven A1 - Giegerich, Robert T1 - GeneFisher-P BT - Variations of GneFisher as Process in Bio jETI - (part of "From Components to Processes") T3 - Preprint / Universität Potsdam, Institut für Informatik Y1 - 2007 SN - 0946-7580 VL - 2007, 3 PB - Univ. CY - Potsdam ER - TY - JOUR A1 - Lamprecht, Anna-Lena A1 - Wickert, Alexander A1 - Margaria, Tiziana ED - Lambrecht, Anna-Lena ED - Margaria, Tiziana T1 - Lessons Learned JF - Process Design for Natural Scientists: an agile model-driven approach N2 - This chapter summarizes the experience and the lessons we learned concerning the application of the jABC as a framework for design and execution of scientific workflows. It reports experiences from the domain modeling (especially service integration) and workflow design phases and evaluates the resulting models statistically with respect to the SIB library and hierarchy levels. Y1 - 2014 SN - 978-3-662-45005-5 SN - 1865-0929 IS - 500 SP - 45 EP - 64 PB - Springer Verlag CY - Berlin ER - TY - JOUR A1 - Lamprecht, Anna-Lena A1 - Wickert, Alexander ED - Lambrecht, Anna-Lena ED - Margaria, Tiziana T1 - The Course's SIB Libraries JF - Process Design for Natural Scientists: an agile model-driven approach N2 - This chapter gives a detailed description of the service framework underlying all the example projects that form the foundation of this book. It describes the different SIB libraries that we made available for the course “Process modeling in the natural sciences” to provide the functionality that was required for the envisaged applications. The students used these SIB libraries to realize their projects. Y1 - 2014 SN - 978-3-662-45005-5 SN - 1865-0929 IS - 500 SP - 30 EP - 44 PB - Springer Verlag CY - Berlin ER - TY - JOUR A1 - Lamprecht, Anna-Lena A1 - Margaria, Tiziana ED - Lambrecht, Anna-Lena ED - Margaria, Tiziana T1 - Scientific Workflows and XMDD JF - Process Design for Natural Scientists: an agile model-driven approach N2 - A major part of the scientific experiments that are carried out today requires thorough computational support. While database and algorithm providers face the problem of bundling resources to create and sustain powerful computation nodes, the users have to deal with combining sets of (remote) services into specific data analysis and transformation processes. Today’s attention to “big data” amplifies the issues of size, heterogeneity, and process-level diversity/integration. In the last decade, especially workflow-based approaches to deal with these processes have enjoyed great popularity. This book concerns a particularly agile and model-driven approach to manage scientific workflows that is based on the XMDD paradigm. In this chapter we explain the scope and purpose of the book, briefly describe the concepts and technologies of the XMDD paradigm, explain the principal differences to related approaches, and outline the structure of the book. Y1 - 2014 SN - 978-3-662-45005-5 SN - 1865-0929 IS - 500 SP - 1 EP - 13 PB - Springer Verlag CY - Berlin ER - TY - JOUR A1 - Lamprecht, Anna-Lena A1 - Margaria, Tiziana A1 - Steffen, Bernhard ED - Lambrecht, Anna-Lena ED - Margaria, Tiziana T1 - Modeling and Execution of Scientific Workflows with the jABC Framework JF - Process Design for Natural Scientists: an agile model-driven approach N2 - We summarize here the main characteristics and features of the jABC framework, used in the case studies as a graphical tool for modeling scientific processes and workflows. As a comprehensive environment for service-oriented modeling and design according to the XMDD (eXtreme Model-Driven Design) paradigm, the jABC offers much more than the pure modeling capability. Associated technologies and plugins provide in fact means for a rich variety of supporting functionality, such as remote service integration, taxonomical service classification, model execution, model verification, model synthesis, and model compilation. We describe here in short both the essential jABC features and the service integration philosophy followed in the environment. In our work over the last years we have seen that this kind of service definition and provisioning platform has the potential to become a core technology in interdisciplinary service orchestration and technology transfer: Domain experts, like scientists not specially trained in computer science, directly define complex service orchestrations as process models and use efficient and complex domain-specific tools in a simple and intuitive way. Y1 - 2014 SN - 978-3-662-45005-5 SN - 1865-0929 IS - 500 SP - 14 EP - 29 PB - Springer Verlag CY - Berlin ER -