Dr Joe Wandy

Publications

List by: Type | Date

Jump to: 2023 | 2022 | 2021 | 2019 | 2018 | 2017 | 2016
Number of items: 16.

2023

McBride, R., Wandy, J. , Weidt, S., Rogers, S. , Davies, V. , Daly, R. and Bryson, K. (2023) TopNEXt: automatic DDA exclusion framework for multi-sample mass spectrometry experiments. Bioinformatics, 39(7), btad406. (doi: 10.1093/bioinformatics/btad406) (PMID:37364005)

Wandy, J. , Mcbride, R., Rogers, S. , Terzis, N., Weidt, S., van der Hooft, J. J.J. , Bryson, K. , Daly, R. and Davies, V. (2023) Simulated-to-real benchmarking of acquisition methods in untargeted metabolomics. Frontiers in Molecular Biosciences, 10, 1130781. (doi: 10.3389/fmolb.2023.1130781) (PMID:36959982) (PMCID:PMC10027714)

2022

Wandy, J. , Davies, V. , McBride, R., Weidt, S., Rogers, S. and Daly, R. (2022) ViMMS 2.0: A framework to develop, test and optimise fragmentation strategies in LC-MS metabolomics. Journal of Open Source Software, 7(71), 3990. (doi: 10.21105/joss.03990)

2021

Wandy, J. and Daly, R. (2021) GraphOmics: an interactive platform to explore and integrate multi-omics data. BMC Bioinformatics, 22, 603. (doi: 10.1186/s12859-021-04500-1) (PMID:34922446) (PMCID:PMC8684259)

Davies, V. , Wandy, J. , Weidt, S., van der Hooft, J. J.J. , Miller, A. , Daly, R. and Rogers, S. (2021) Rapid development of improved data-dependent acquisition strategies. Analytical Chemistry, 93(14), pp. 5676-5683. (doi: 10.1021/acs.analchem.0c03895) (PMID:33784814) (PMCID:PMC8047769)

Niu, M., Wandy, J. , Daly, R. , Rogers, S. and Husmeier, D. (2021) R package for statistical inference in dynamical systems using kernel based gradient matching: KGode. Computational Statistics, 36(1), pp. 715-747. (doi: 10.1007/s00180-020-01014-x)

McLuskey, K., Wandy, J. , Vincent, I. , Van Der Hooft, J. J.J. , Rogers, S. , Burgess, K. and Daly, R. (2021) Ranking metabolite sets by their activity levels. Metabolites, 11(2), 103. (doi: 10.3390/metabo11020103) (PMID:33670102) (PMCID:PMC7916825)

Hjorleifsson Eldjarn, G., Ramsay, A. , Van Der Hooft, J. , Duncan, K. R., Soldatou, S., Rousu, J., Daly, R. , Wandy, J. and Rogers, S. (2021) Ranking microbial metabolomic and genomic links in the NPLinker framework using complementary scoring functions. PLoS Computational Biology, 17(5), e1008920. (doi: 10.1371/journal.pcbi.1008920) (PMID:33945539) (PMCID:PMC8130963)

2019

Wandy, J. , Davies, V. , van der Hooft, J. J.J. , Weidt, S., Daly, R. and Rogers, S. (2019) In silico optimization of mass spectrometry fragmentation strategies in metabolomics. Metabolites, 9(10), 219. (doi: 10.3390/metabo9100219) (PMID:31600991)

Rogers, S. , Ong, C. W., Wandy, J. , Ernst, M., Ridder, L. and Van Der Hooft, J. J.J. (2019) Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra. Faraday Discussions, 218, pp. 284-302. (doi: 10.1039/C8FD00235E) (PMID:31120050)

Ernst, M. et al. (2019) MolNetEnhancer: enhanced molecular networks by integrating metabolome mining and annotation tools. Metabolites, 9(7), 144. (doi: 10.3390/metabo9070144) (PMID:31315242)

2018

Wandy, J. , Niu, M., Giurghita, D., Daly, R. , Rogers, S. and Husmeier, D. (2018) ShinyKGode: an interactive application for ODE parameter inference using gradient matching. Bioinformatics, 34(13), pp. 2314-2315. (doi: 10.1093/bioinformatics/bty089) (PMID:29490021) (PMCID:PMC6022662)

Wandy, J. , Zhu, Y., van der Hooft, J. J.J. , Daly, R. , Barrett, M. P. and Rogers, S. (2018) Ms2lda.org: web-based topic modelling for substructure discovery in mass spectrometry. Bioinformatics, 34(2), pp. 317-318. (doi: 10.1093/bioinformatics/btx582) (PMID:28968802) (PMCID:PMC5860206)

2017

Gloaguen, Y. , Morton, F. , Daly, R. , Gurden, R., Rogers, S. , Wandy, J. , Wilson, D., Barrett, M. and Burgess, K. (2017) PiMP my metabolome: An integrated, web-based tool for LC-MS metabolomics data. Bioinformatics, 33(24), pp. 4007-4009. (doi: 10.1093/bioinformatics/btx499) (PMID:28961954) (PMCID:PMC5860087)

van der Hooft, J. J.J. , Wandy, J. , Young, F., Padmanabhan, S. , Gerasimidis, K. , Burgess, K. E.V., Barrett, M. P. and Rogers, S. (2017) Unsupervised discovery and comparison of structural families across multiple samples in untargeted metabolomics. Analytical Chemistry, 89(14), pp. 7569-7577. (doi: 10.1021/acs.analchem.7b01391) (PMID:28621528) (PMCID:PMC5524435)

2016

van Der Hooft, J. J. J. , Wandy, J. , Barrett, M. P. , Burgess, K. E.V. and Rogers, S. (2016) Topic modeling for untargeted substructure exploration in metabolomics. Proceedings of the National Academy of Sciences of the United States of America, 113(48), pp. 13738-13743. (doi: 10.1073/pnas.1608041113) (PMID:27856765) (PMCID:PMC5137707)

This list was generated on Fri Apr 19 12:00:03 2024 BST.
Jump to: Articles
Number of items: 16.

Articles

McBride, R., Wandy, J. , Weidt, S., Rogers, S. , Davies, V. , Daly, R. and Bryson, K. (2023) TopNEXt: automatic DDA exclusion framework for multi-sample mass spectrometry experiments. Bioinformatics, 39(7), btad406. (doi: 10.1093/bioinformatics/btad406) (PMID:37364005)

Wandy, J. , Mcbride, R., Rogers, S. , Terzis, N., Weidt, S., van der Hooft, J. J.J. , Bryson, K. , Daly, R. and Davies, V. (2023) Simulated-to-real benchmarking of acquisition methods in untargeted metabolomics. Frontiers in Molecular Biosciences, 10, 1130781. (doi: 10.3389/fmolb.2023.1130781) (PMID:36959982) (PMCID:PMC10027714)

Wandy, J. , Davies, V. , McBride, R., Weidt, S., Rogers, S. and Daly, R. (2022) ViMMS 2.0: A framework to develop, test and optimise fragmentation strategies in LC-MS metabolomics. Journal of Open Source Software, 7(71), 3990. (doi: 10.21105/joss.03990)

Wandy, J. and Daly, R. (2021) GraphOmics: an interactive platform to explore and integrate multi-omics data. BMC Bioinformatics, 22, 603. (doi: 10.1186/s12859-021-04500-1) (PMID:34922446) (PMCID:PMC8684259)

Davies, V. , Wandy, J. , Weidt, S., van der Hooft, J. J.J. , Miller, A. , Daly, R. and Rogers, S. (2021) Rapid development of improved data-dependent acquisition strategies. Analytical Chemistry, 93(14), pp. 5676-5683. (doi: 10.1021/acs.analchem.0c03895) (PMID:33784814) (PMCID:PMC8047769)

Niu, M., Wandy, J. , Daly, R. , Rogers, S. and Husmeier, D. (2021) R package for statistical inference in dynamical systems using kernel based gradient matching: KGode. Computational Statistics, 36(1), pp. 715-747. (doi: 10.1007/s00180-020-01014-x)

McLuskey, K., Wandy, J. , Vincent, I. , Van Der Hooft, J. J.J. , Rogers, S. , Burgess, K. and Daly, R. (2021) Ranking metabolite sets by their activity levels. Metabolites, 11(2), 103. (doi: 10.3390/metabo11020103) (PMID:33670102) (PMCID:PMC7916825)

Hjorleifsson Eldjarn, G., Ramsay, A. , Van Der Hooft, J. , Duncan, K. R., Soldatou, S., Rousu, J., Daly, R. , Wandy, J. and Rogers, S. (2021) Ranking microbial metabolomic and genomic links in the NPLinker framework using complementary scoring functions. PLoS Computational Biology, 17(5), e1008920. (doi: 10.1371/journal.pcbi.1008920) (PMID:33945539) (PMCID:PMC8130963)

Wandy, J. , Davies, V. , van der Hooft, J. J.J. , Weidt, S., Daly, R. and Rogers, S. (2019) In silico optimization of mass spectrometry fragmentation strategies in metabolomics. Metabolites, 9(10), 219. (doi: 10.3390/metabo9100219) (PMID:31600991)

Rogers, S. , Ong, C. W., Wandy, J. , Ernst, M., Ridder, L. and Van Der Hooft, J. J.J. (2019) Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra. Faraday Discussions, 218, pp. 284-302. (doi: 10.1039/C8FD00235E) (PMID:31120050)

Ernst, M. et al. (2019) MolNetEnhancer: enhanced molecular networks by integrating metabolome mining and annotation tools. Metabolites, 9(7), 144. (doi: 10.3390/metabo9070144) (PMID:31315242)

Wandy, J. , Niu, M., Giurghita, D., Daly, R. , Rogers, S. and Husmeier, D. (2018) ShinyKGode: an interactive application for ODE parameter inference using gradient matching. Bioinformatics, 34(13), pp. 2314-2315. (doi: 10.1093/bioinformatics/bty089) (PMID:29490021) (PMCID:PMC6022662)

Wandy, J. , Zhu, Y., van der Hooft, J. J.J. , Daly, R. , Barrett, M. P. and Rogers, S. (2018) Ms2lda.org: web-based topic modelling for substructure discovery in mass spectrometry. Bioinformatics, 34(2), pp. 317-318. (doi: 10.1093/bioinformatics/btx582) (PMID:28968802) (PMCID:PMC5860206)

Gloaguen, Y. , Morton, F. , Daly, R. , Gurden, R., Rogers, S. , Wandy, J. , Wilson, D., Barrett, M. and Burgess, K. (2017) PiMP my metabolome: An integrated, web-based tool for LC-MS metabolomics data. Bioinformatics, 33(24), pp. 4007-4009. (doi: 10.1093/bioinformatics/btx499) (PMID:28961954) (PMCID:PMC5860087)

van der Hooft, J. J.J. , Wandy, J. , Young, F., Padmanabhan, S. , Gerasimidis, K. , Burgess, K. E.V., Barrett, M. P. and Rogers, S. (2017) Unsupervised discovery and comparison of structural families across multiple samples in untargeted metabolomics. Analytical Chemistry, 89(14), pp. 7569-7577. (doi: 10.1021/acs.analchem.7b01391) (PMID:28621528) (PMCID:PMC5524435)

van Der Hooft, J. J. J. , Wandy, J. , Barrett, M. P. , Burgess, K. E.V. and Rogers, S. (2016) Topic modeling for untargeted substructure exploration in metabolomics. Proceedings of the National Academy of Sciences of the United States of America, 113(48), pp. 13738-13743. (doi: 10.1073/pnas.1608041113) (PMID:27856765) (PMCID:PMC5137707)

This list was generated on Fri Apr 19 12:00:03 2024 BST.

Research datasets

Jump to: 2022 | 2021 | 2019 | 2017 | 2016
Number of items: 6.

2022

Wandy, J. , McBride, R., Weidt, S., Rogers, S. , Terzis, N., van der Hooft, J. J. J., Bryson, K. , Daly, R. and Davies, V. (2022) DDA and DIA data for ViMMS 2.0. [Data Collection]

2021

Davies, V. , Wandy, J., Weidt, S., van der Hooft, J., Miller, A. , Daly, R. and Rogers, S. (2021) Rapid Development of Improved Data-Dependent Acquisition Strategies. [Data Collection]

2019

Wandy, J., Davies, V. , van der Hooft, J., Weidt, S., Daly, R. and Rogers, S. (2019) In-silico Optimisation of Mass Spectrometry Fragmentation Strategies in Metabolomics. [Data Collection]

2017

Van Der Hooft, J. and Wandy, J. (2017) Unsupervised discovery and comparison of structural families across multiple samples in untargeted metabolomics. [Data Collection]

2016

Van Der Hooft, J., Rogers, S. , Wandy, J., Barrett, M. and Burgess, K. (2016) Topic Modeling for Untargeted Substructure Exploration in Metabolomics. [Data Collection]

Wandy, J., van der Hooft, J. and Rogers, S. (2016) Ionisation Product Clustering to Improve Peak Alignment in LC-MS-based Metabolomics. [Data Collection]

This list was generated on Sat Apr 20 10:39:15 2024 BST.