Community standards to facilitate development and address challenges in metabolic modeling

被引:28
作者
Carey, Maureen A. [1 ]
Draeger, Andreas [2 ,3 ,4 ]
Beber, Moritz E. [5 ]
Papin, Jason A. [1 ,6 ]
Yurkovich, James T. [7 ]
机构
[1] Univ Virginia, Dept Med, Div Infect Dis & Int Hlth, Charlottesville, VA 22904 USA
[2] Univ Tubingen, Inst Biomed Informat IBMI, Computat Syst Biol Infect & Antimicrobial Resista, Tubingen, Germany
[3] Univ Tubingen, Dept Comp Sci, Tubingen, Germany
[4] German Ctr Infect Res DZIF, Partner Site Tubingen, Tubingen, Germany
[5] Tech Univ Denmark, Novo Nordisk Fdn Ctr Biosustainabil, Kemitorvet, Denmark
[6] Univ Virginia, Dept Biomed Engn, Charlottesville, VA 22904 USA
[7] Inst Syst Biol, Seattle, WA 98109 USA
基金
欧盟地平线“2020”; 美国国家卫生研究院;
关键词
INFORMATION;
D O I
10.15252/msb.20199235
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Standardization of data and models facilitates effective communication, especially in computational systems biology. However, both the development and consistent use of standards and resources remain challenging. As a result, the amount, quality, and format of the information contained within systems biology models are not consistent and therefore present challenges for widespread use and communication. Here, we focused on these standards, resources, and challenges in the field of constraint-based metabolic modeling by conducting a community-wide survey. We used this feedback to (i) outline the major challenges that our field faces and to propose solutions and (ii) identify a set of features that defines what a "gold standard" metabolic network reconstruction looks like concerning content, annotation, and simulation capabilities. We anticipate that this community-driven outline will help the long-term development of community-inspired resources as well as produce high-quality, accessible models within our field. More broadly, we hope that these efforts can serve as blueprints for other computational modeling communities to ensure the continued development of both practical, usable standards and reproducible, knowledge-rich models.
引用
收藏
页数:9
相关论文
共 22 条
[1]   COMBINE archive and OMEX format: one file to share all information to reproduce a modeling project [J].
Bergmann, Frank T. ;
Adams, Richard ;
Moodie, Stuart ;
Cooper, Jonathan ;
Glont, Mihai ;
Golebiewski, Martin ;
Hucka, Michael ;
Laibe, Camille ;
Miller, Andrew K. ;
Nickerson, David P. ;
Olivier, Brett G. ;
Rodriguez, Nicolas ;
Sauro, Herbert M. ;
Scharm, Martin ;
Soiland-Reyes, Stian ;
Waltemath, Dagmar ;
Yvon, Florent ;
Le Novere, Nicolas .
BMC BIOINFORMATICS, 2014, 15
[2]   Novel Plasmodium falciparum metabolic network reconstruction identifies shifts associated with clinical antimalarial resistance [J].
Carey, Maureen A. ;
Papin, Jason A. ;
Guler, Jennifer L. .
BMC GENOMICS, 2017, 18
[3]  
COBRA, 2018, 5 C CONSTR BAS REC A
[4]  
Drager Andreas, 2014, Front Bioeng Biotechnol, V2, P61, DOI 10.3389/fbioe.2014.00061
[5]   Do genome-scale models need exact solvers or clearer standards? [J].
Ebrahim, Ali ;
Almaas, Eivind ;
Bauer, Eugen ;
Bordbar, Aarash ;
Burgard, Anthony P. ;
Chang, Roger L. ;
Draeger, Andreas ;
Famili, Iman ;
Feist, Adam M. ;
Fleming, Ronan M. T. ;
Fong, Stephen S. ;
Hatzimanikatis, Vassily ;
Herrgard, Markus J. ;
Holder, Allen ;
Hucka, Michael ;
Hyduke, Daniel ;
Jamshidi, Neema ;
Lee, Sang Yup ;
Le Novere, Nicolas ;
Lerman, Joshua A. ;
Lewis, Nathan E. ;
Ma, Ding ;
Mahadevan, Radhakrishnan ;
Maranas, Costas ;
Nagarajan, Harish ;
Navid, Ali ;
Nielsen, Jens ;
Nielsen, Lars K. ;
Nogales, Juan ;
Noronha, Alberto ;
Pal, Csaba ;
Palsson, Bernhard O. ;
Papin, Jason A. ;
Patil, Kiran R. ;
Price, Nathan D. ;
Reed, Jennifer L. ;
Saunders, Michael ;
Senger, Ryan S. ;
Sonnenschein, Nikolaus ;
Sun, Yuekai ;
Thiele, Ines .
MOLECULAR SYSTEMS BIOLOGY, 2015, 11 (10)
[6]   COBRApy: COnstraints-Based Reconstruction and Analysis for Python']Python [J].
Ebrahim, Ali ;
Lerman, Joshua A. ;
Palsson, Bernhard O. ;
Hyduke, Daniel R. .
BMC SYSTEMS BIOLOGY, 2013, 7
[7]   Creation and analysis of biochemical constraint-based models using the COBRA Toolbox v.3.0 [J].
Heirendt, Laurent ;
Arreckx, Sylvain ;
Pfau, Thomas ;
Mendoza, Sebastian N. ;
Richelle, Anne ;
Heinken, Almut ;
Haraldsdottir, Hulda S. ;
Wachowiak, Jacek ;
Keating, Sarah M. ;
Vlasov, Vanja ;
Magnusdottir, Stefania ;
Ng, Chiam Yu ;
Preciat, German ;
Zagare, Alise ;
Chan, Siu H. J. ;
Aurich, Maike K. ;
Clancy, Catherine M. ;
Modamio, Jennifer ;
Sauls, John T. ;
Noronha, Alberto ;
Bordbar, Aarash ;
Cousins, Benjamin ;
El Assal, Diana C. ;
Valcarcel, Luis V. ;
Apaolaza, Inigo ;
Ghaderi, Susan ;
Ahookhosh, Masoud ;
Ben Guebila, Marouen ;
Kostromins, Andrejs ;
Sompairac, Nicolas ;
Le, Hoai M. ;
Ma, Ding ;
Sun, Yuekai ;
Wang, Lin ;
Yurkovich, James T. ;
Oliveira, Miguel A. P. ;
Vuong, Phan T. ;
El Assal, Lemmer P. ;
Kuperstein, Inna ;
Zinovyev, Andrei ;
Hinton, H. Scott ;
Bryant, William A. ;
Aragon Artacho, Francisco J. ;
Planes, Francisco J. ;
Stalidzans, Egils ;
Maass, Alejandro ;
Vempala, Santosh ;
Hucka, Michael ;
Saunders, Michael A. ;
Maranas, Costas D. .
NATURE PROTOCOLS, 2019, 14 (03) :639-702
[8]   SBML Level 3: an extensible format for the exchange and reuse of biological models [J].
Keating, Sarah M. ;
Waltemath, Dagmar ;
Koenig, Matthias ;
Zhang, Fengkai ;
Draeger, Andreas ;
Chaouiya, Claudine ;
Bergmann, Frank T. ;
Finney, Andrew ;
Gillespie, Colin S. ;
Helikar, Tomas ;
Hoops, Stefan ;
Malik-Sheriff, Rahuman S. ;
Moodie, Stuart L. ;
Moraru, Ion I. ;
Myers, Chris J. ;
Naldi, Aurelien ;
Olivier, Brett G. ;
Sahle, Sven ;
Schaff, James C. ;
Smith, Lucian P. ;
Swat, Maciej J. ;
Thieffry, Denis ;
Watanabe, Leandro ;
Wilkinson, Darren J. ;
Blinov, Michael L. ;
Begley, Kimberly ;
Faeder, James R. ;
Gomez, Harold F. ;
Hamm, Thomas M. ;
Inagaki, Yuichiro ;
Liebermeister, Wolfram ;
Lister, Allyson L. ;
Lucio, Daniel ;
Mjolsness, Eric ;
Proctor, Carole J. ;
Raman, Karthik ;
Rodriguez, Nicolas ;
Shaffer, Clifford A. ;
Shapiro, Bruce E. ;
Stelling, Joerg ;
Swainston, Neil ;
Tanimura, Naoki ;
Wagner, John ;
Meier-Schellersheim, Martin ;
Sauro, Herbert M. ;
Palsson, Bernhard ;
Bolouri, Hamid ;
Kitano, Hiroaki ;
Funahashi, Akira ;
Hermjakob, Henning .
MOLECULAR SYSTEMS BIOLOGY, 2020, 16 (08)
[9]   Minimum information requested in the annotation of biochemical models (MIRIAM) [J].
Le Novère, N ;
Finney, A ;
Hucka, M ;
Bhalla, US ;
Campagne, F ;
Collado-Vides, J ;
Crampin, EJ ;
Halstead, M ;
Klipp, E ;
Mendes, P ;
Nielsen, P ;
Sauro, H ;
Shapiro, B ;
Snoep, JL ;
Spence, HD ;
Wanner, BL .
NATURE BIOTECHNOLOGY, 2005, 23 (12) :1509-1515
[10]   MEMOTE for standardized genome-scale metabolic model testing [J].
Lieven, Christian ;
Beber, Moritz E. ;
Olivier, Brett G. ;
Bergmann, Frank T. ;
Ataman, Meric ;
Babaei, Parizad ;
Bartell, Jennifer A. ;
Blank, Lars M. ;
Chauhan, Siddharth ;
Correia, Kevin ;
Diener, Christian ;
Draeger, Andreas ;
Ebert, Birgitta E. ;
Edirisinghe, Janaka N. ;
Faria, Jose P. ;
Feist, Adam M. ;
Fengos, Georgios ;
Fleming, Ronan M. T. ;
Garcia-Jimenez, Beatriz ;
Hatzimanikatis, Vassily ;
van Helvoirt, Wout ;
Henry, Christopher S. ;
Hermjakob, Henning ;
Herrgard, Markus J. ;
Kaafarani, Ali ;
Kim, Hyun Uk ;
King, Zachary ;
Klamt, Steffen ;
Klipp, Edda ;
Koehorst, Jasper J. ;
Koenig, Matthias ;
Lakshmanan, Meiyappan ;
Lee, Dong-Yup ;
Lee, Sang Yup ;
Lee, Sunjae ;
Lewis, Nathan E. ;
Liu, Filipe ;
Ma, Hongwu ;
Machado, Daniel ;
Mahadevan, Radhakrishnan ;
Maia, Paulo ;
Mardinoglu, Adil ;
Medlock, Gregory L. ;
Monk, Jonathan M. ;
Nielsen, Jens ;
Nielsen, Lars Keld ;
Nogales, Juan ;
Nookaew, Intawat ;
Palsson, Bernhard O. ;
Papin, Jason A. .
NATURE BIOTECHNOLOGY, 2020, 38 (03) :272-276