4.7 Article

SBSI: an extensible distributed software infrastructure for parameter estimation in systems biology

Journal

BIOINFORMATICS
Volume 29, Issue 5, Pages 664-665

Publisher

OXFORD UNIV PRESS
DOI: 10.1093/bioinformatics/btt023

Keywords

-

Funding

  1. UK Biotechnology and Biological Sciences Research Council
  2. Engineering and Physical Sciences Research Council [BB/D019621/1]
  3. BBSRC [BB/F005237/1, BB/D019621/1] Funding Source: UKRI
  4. Biotechnology and Biological Sciences Research Council [BB/F005237/1, BB/D019621/1] Funding Source: researchfish

Ask authors/readers for more resources

Complex computational experiments in Systems Biology, such as fitting model parameters to experimental data, can be challenging to perform. Not only do they frequently require a high level of computational power, but the software needed to run the experiment needs to be usable by scientists with varying levels of computational expertise, and modellers need to be able to obtain up-to-date experimental data resources easily. We have developed a software suite, the Systems Biology Software Infrastructure (SBSI), to facilitate the parameter-fitting process. SBSI is a modular software suite composed of three major components: SBSINumerics, a high-performance library containing parallelized algorithms for performing parameter fitting; SBSIDispatcher, a middleware application to track experiments and submit jobs to back-end servers; and SBSIVisual, an extensible client application used to configure optimization experiments and view results. Furthermore, we have created a plugin infrastructure to enable project-specific modules to be easily installed. Plugin developers can take advantage of the existing user-interface and application framework to customize SBSI for their own uses, facilitated by SBSI's use of standard data formats.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Gastroenterology & Hepatology

Lifestyle factors for the prevention of inflammatory bowel disease

Emily W. Lopes, Simon S. M. Chan, Mingyang Song, Jonas F. Ludvigsson, Niclas Hakansson, Paul Lochhead, Allan Clark, Kristin E. Burke, Ashwin N. Ananthakrishnan, Amanda J. Cross, Domenico Palli, Manuela M. Bergmann, James M. Richter, Andrew T. Chan, Ola Olen, Alicja Wolk, Hamed Khalili

Summary: This study aimed to estimate the proportion of cases of Crohn's disease (CD) and ulcerative colitis (UC) that could be prevented by modifiable lifestyle factors. Using several cohorts in the US and Europe, the researchers created modifiable risk scores and healthy lifestyle scores, and found that a significant number of CD and UC cases could be prevented through lifestyle modification.
Article Biochemical Research Methods

Incorporation of a Disposable ESI Emitter into Inline Cartridge Extraction Mass Spectrometry Improves Throughput and Spectra Stability

Denis S. Bormotov, Vasily A. Eliferov, Olga V. Peregudova, Denis S. Zavorotnyuk, Konstantin V. Bocharov, Stanislav I. Pekov, Anatoly A. Sorokin, Eugene N. Nikolaev, Igor A. Popov

Summary: Rapid and reliable methods for detecting tumor margins are crucial for neuro-oncology. Several mass spectrometry-based methods have been proposed, including Inline Cartridge Extraction (ICE). This study develops a method of incorporating a disposable electrospray emitter into the ICE cartridge, reducing total analysis time and improving throughput. The proposed setup also improves the stability and reproducibility of molecular profiling in human glial tumor samples.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2023)

Article Medicine, General & Internal

Cessation of smoking trial in the emergency department (CoSTED): protocol for a multicentre randomised controlled trial

Caitlin Notley, Lucy Clark, Pippa Belderson, Emma Ward, Allan B. Clark, Steve Parrott, Sanjay Agrawal, Ben M. Bloom, Adrian A. Boyle, Geraint Morris, Alasdair Gray, Tim Coats, Mei-See Man, Linda Bauld, Richard Holland, Ian Pope

Summary: This study aims to determine whether an opportunistic smoking cessation intervention delivered in the emergency department can help daily smokers quit smoking and is cost-effective. The trial compares brief smoking cessation advice with provision of an e-cigarette and referral to local stop smoking services (intervention group) and provision of contact details for local stop smoking services (control group). Outcomes will be collected at 1, 3, and 6 months, with the primary outcome being carbon monoxide verified continuous smoking abstinence at 6 months.

BMJ OPEN (2023)

Article Medicine, General & Internal

Passive Microwave Radiometry and microRNA Detection for Breast Cancer Diagnostics

Leonid Fisher, Olga Fisher, Dmitry Chebanov, Sergey Vesnin, Alexey Goltsov, Arran Turnbull, Mike Dixon, Indira Kudaibergenova, Batyr Osmonov, Sergey Karbainov, Larion Popov, Alexander Losev, Igor Goryanin

Summary: Breast cancer prevention is a crucial health concern for women worldwide. This study compared traditional breast cancer screening methods like mammography and ultrasound with newer approaches such as passive microwave radiometry (MWR) and microRNA (miRNA) analysis. While mammography took 3-6 months for screening dynamics, MWR provided predictions within weeks or even days. Additionally, MWR has the potential to be enhanced by miRNA diagnostics for better predictive accuracy. These novel techniques can be used independently or in combination with established techniques to enhance early breast cancer diagnosis.

DIAGNOSTICS (2023)

Article Clinical Neurology

Caregiving for older people living with chronic pain: analysis of the English longitudinal study of ageing and health survey for England

Toby Smith, Michael Mansfield, Sarah Hanson, Allie Welsh, Reema Khoury, Allan Clark, Emma Dures, Jo Adams

Summary: This study examines the use of informal support among people with chronic pain. The results show that individuals who receive informal care are primarily female, older, and have multiple medical conditions. The informal care provided often involves everyday activities and is most frequently provided by partners or children. Despite reporting greater disability and symptoms, there were no differences in health status, loneliness, or well-being between those who received care and those who did not.

BRITISH JOURNAL OF PAIN (2023)

Article Computer Science, Information Systems

Shapley Value as a Quality Control for Mass Spectra of Human Glioblastoma Tissues

Denis S. Zavorotnyuk, Anatoly A. Sorokin, Stanislav I. Pekov, Denis S. Bormotov, Vasiliy A. Eliferov, Konstantin V. Bocharov, Eugene N. Nikolaev, Igor A. Popov

Summary: In this study, the Shapley value is used to assess the quality of mass spectra, resulting in accelerated analysis of negative mode mass spectrometry data and improved accuracy of regression models.
Article Computer Science, Information Systems

Aggregation of Multimodal ICE-MS Data into Joint Classifier Increases Quality of Brain Cancer Tissue Classification

Anatoly A. Sorokin, Denis S. Bormotov, Denis S. Zavorotnyuk, Vasily A. Eliferov, Konstantin V. Bocharov, Stanislav I. Pekov, Evgeny N. Nikolaev, Igor A. Popov

Summary: Mass spectrometry fingerprinting combined with multidimensional data analysis is used to determine if a biopsy sample is a tumor. In the case of brain tumors, it is difficult to obtain control samples, resulting in model overfitting due to unbalanced sample cohorts. This study developed an approach using mass spectrometry data obtained by eight different measurement regimes simultaneously, and achieved better classification performance by aggregating the predictions of multiple classifiers.
Article Biochemistry & Molecular Biology

FBA-PRCC. Partial Rank Correlation Coefficient (PRCC) Global Sensitivity Analysis (GSA) in Application to Constraint-Based Models

Anatoly Sorokin, Igor Goryanin

Summary: Whole-genome models (GEMs) are versatile tools for systems biology, biotechnology, and medicine. We propose a new method to apply global sensitivity analysis (GSA) to GEMs, which allows for fast, interpretable, and reliable evaluation of reaction contributions to cellular functions.

BIOMOLECULES (2023)

Article Engineering, Environmental

Hydrogeochemical and isotopic evolution of groundwater in shallow and deep aquifers of the Kabul Plain, Afghanistan

Abdulhalim Zaryab, Asadullah Farahmand, Hamid Reza Nassery, Farshad Alijani, Shakir Ali, Mohammad Zia Jamal

Summary: This study explores the hydrogeochemical characteristics of groundwater in shallow and deep aquifers in Kabul and finds that water-rock interaction is a major contributing factor to the chemical compositions of groundwater. The shallow aquifer is mainly recharged by river water and local precipitation, while the deep aquifer is a mixture of pre-1953 and post-1953 groundwater. The study also reveals hydraulic interactions between the two aquifers.

ENVIRONMENTAL GEOCHEMISTRY AND HEALTH (2023)

Article Multidisciplinary Sciences

Exploring Endotypes in Chronic Rhinosinusitis (ExpRess): Protocol for a cohort study

Shyam Ajay Gokani, Matthew Jefferson, Jelena Gavrilovic, Allan Clark, Falk Hildebrand, Tom Wileman, Claire Hopkins, Carl Philpott

Summary: This study aims to correlate clinical parameters and treatment response with CRS endotypes by analyzing biomarkers in nasal tissue and bacterial swabs. It could provide the foundation for patient classification and predicting treatment outcomes.

PLOS ONE (2023)

Article Medicine, Research & Experimental

Protocol of the process evaluation of cluster randomised control trial for estimating the effectiveness and cost-effectiveness of a complex intervention to increase care home staff influenza vaccination rates compared to usual practice (FluCare)

Linda Birt, Thando Katangwe-Chigamba, Sion Scott, David J. Wright, Adam P. Wagner, Erika Sims, Veronica Bion, Carys Seeley, Faisal Alsaif, Allan Clarke, Alys Griffiths, Liz Jones, Alison Bryant, Amrish Patel

Summary: Influenza vaccination rates among care home staff in the UK are low, but the FluCare study aims to improve this through behavioral interventions such as videos, posters, leaflets, and on-site vaccination clinics. This paper outlines the planned process evaluation, which will describe the intervention's delivery, explore its effects, investigate the mechanisms of impact, and assess the perceived effectiveness of the intervention components from participant perspectives.

TRIALS (2023)

Article Multidisciplinary Sciences

Genomic analysis and assessment of pathogenic (toxicogenic) potential of Staphylococcus haemolyticus and Bacillus paranthracis consortia isolated from bovine mastitis in Russia

Sergei Sokolov, Fedor Brovko, Alexander Solonin, Daria Nikanova, Ksenia Fursova, Olga Artyemieva, Evgenia Kolodina, Anatoly Sorokin, Margarita Shchannikova, Timur Dzhelyadin, Artem Ermakov, Khanafy Boziev, Natalia Zinovieva

Summary: Three stable microbial consortia were isolated from milk of cows diagnosed with mastitis in three geographically remote regions of Russia. These consortia were composed of Bacillus paranthracis and Staphylococcus haemolyticus strains, and their composition remained stable following multiple passages on culture media, possibly due to the structure of microbial biofilms. The virulence of the consortia depended on the B. paranthracis strains, and the ability to cause mastitis in cattle may be affected by mutations of the cytK gene of B. paranthracis.

SCIENTIFIC REPORTS (2023)

Review Medicine, General & Internal

CompreHensive geriAtRician-led MEdication Review (CHARMER): protocol for a feasibility study of a hospital deprescribing behaviour change intervention

Sion Scott, Bethany Atkins, Jacqueline M. Martin-Kerry, Megan Pritchard, David Phillip Alldred, Allan B. Clark, Antony Colles, Amber Hammond, Katherine Murphy, Victoria L. Keevil, Ian Kellar, Martyn Patel, Erika Sims, Johanna Taylor, David Turner, Miles Witham, David Wright, Debi Bhattacharya

Summary: The CHARMER study aims to develop and test a behavior change intervention to proactively deprescribe inappropriate medicines with older adults in hospital. This study will test the feasibility and acceptability of study processes and CHARMER implementation.

BMJ OPEN (2023)

Article Medicine, General & Internal

Prevalence and Associated Factors of Medication Non-Adherence in CRS Patients following Endoscopic Sinus Surgery

Shyam Ajay Gokani, Allan Clark, Amin Javer, Carl Philpott

Summary: This study aimed to evaluate factors associated with non-adherence to prescribed medication after endoscopic sinus surgery (ESS) and compare SNOT-22 scores post-operation between adherent and non-adherent patients. Of the 94 participants included in this retrospective cohort study, 66% did not adhere to their post-operative medication regimen. The most common reasons for non-adherence were symptom improvement, symptom deterioration, and side effects. Non-intentionally non-adherent (NINA) participants had lower post-operative SNOT-22 scores compared to intentionally non-adherent (INA) and adherent patients.

JOURNAL OF CLINICAL MEDICINE (2023)

Article Engineering, Environmental

Genesis and mobilization of fluoride in groundwater of India: Statistical evaluation, health impacts, and potential remedies

Shakir Ali, Shashank Shekhar, Rakesh Kumar, K. Brindha, Peiyue Li

Summary: This study analyzed and evaluated the contamination of fluoride (F-) in groundwater in India, revealing the main sources and affected regions of fluoride pollution, and suggesting corresponding remedial measures, which is of great importance for ensuring safe drinking water supply.

JOURNAL OF HAZARDOUS MATERIALS ADVANCES (2023)

No Data Available