Piotr S. Gromski
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A tutorial review: Metabolomics and partial least squares-discriminant analysis – a marriage of convenience or a shotgun wedding
PS Gromski, H Muhamadali, DI Ellis, Y Xu, E Correa, ML Turner, ...
Analytica Chimica Acta 879, 10-23, 2015
Influence of missing values substitutes on multivariate analysis of metabolomics data
PS Gromski, Y Xu, HL Kotze, E Correa, DI Ellis, EG Armitage, ML Turner, ...
Metabolites 4 (2), 433-452, 2014
How to explore chemical space using algorithms and automation
PS Gromski, AB Henson, JM Granda, L Cronin
Nature Reviews Chemistry 3 (2), 119-128, 2019
A comparative investigation of modern feature selection and classification approaches for the analysis of mass spectrometry data
PS Gromski, Y Xu, E Correa, DI Ellis, ML Turner, R Goodacre
Analytica chimica acta 829, 1-8, 2014
The influence of scaling metabolomics data on model classification accuracy
PS Gromski, Y Xu, KA Hollywood, ML Turner, R Goodacre
Metabolomics 11 (3), 684-695, 2015
Universal Chemical Synthesis and Discovery with ‘The Chemputer’
PS Gromski, JM Granda, L Cronin
Trends in Chemistry 2 (1), 4-12, 2020
A comparison of different chemometrics approaches for the robust classification of electronic nose data
PS Gromski, E Correa, AA Vaughan, DC Wedge, ML Turner, R Goodacre
Analytical and bioanalytical chemistry 406 (29), 7581-7590, 2014
Designing algorithms to aid discovery by chemical robots
AB Henson, PS Gromski, L Cronin
ACS central science 4 (7), 793-804, 2018
Environmental control programs the emergence of distinct functional ensembles from unconstrained chemical reactions
AJ Surman, M Rodriguez-Garcia, YM Abul-Haija, GJT Cooper, ...
Proceedings of the National Academy of Sciences 116 (12), 5387-5392, 2019
Identifying Molecules as Biosignatures with Assembly Theory and Mass Spectrometry
SM Marshall, C Mathis, E Carrick, G Keenan, GJT Cooper, H Graham, ...
Nature Communications 12 (1), 2021
A portable 3D printer system for the diagnosis and treatment of multidrug-resistant bacteria
S Glatzel, M Hezwani, PJ Kitson, PS Gromski, S Schürer, L Cronin
Chem 1 (3), 494-504, 2016
Population implications of cessation of IVF during the COVID-19 pandemic
ADAC Smith, PS Gromski, K Al Rashid, K Tilling, DA Lawlor, SM Nelson
Reproductive biomedicine online 41 (3), 428-430, 2020
Integrated synthesis of nucleotide and nucleosides influenced by amino acids
I Suárez-Marina, YM Abul-Haija, R Turk-MacLeod, PS Gromski, ...
Communications Chemistry 2 (1), 1-8, 2019
Multivariate data analysis and metabolic profiling of artemisinin and related compounds in high yielding varieties of Artemisia annua field-grown in Madagascar
J Suberu, PS Gromski, A Nordon, A Lapkin
Journal of pharmaceutical and biomedical analysis 117, 522-531, 2016
Miller–Urey Spark‐Discharge Experiments in the Deuterium World
GJT Cooper, AJ Surman, J McIver, SM Colón‐Santos, PS Gromski, ...
Angewandte Chemie 56 (28), 8079–8082, 2017
Ethnic differences in male reproductive hormones and relationships with adiposity and insulin resistance in older men
RJAH Eendebak, A Swiecicka, PS Gromski, SR Pye, TW O'Neill, ...
Clinical Endocrinology 86 (5), 660-668, 2017
Association of Epidural Analgesia in Women in Labor With Neonatal and Childhood Outcomes in a Population Cohort
RJ Kearns, M Shaw, PS Gromski, S Iliodromiti, DA Lawlor, SM Nelson
JAMA Network Open 4 (10), 1-14, 2021
2008 financial crisis vs 2020 economic fallout: How COVID-19 might influence fertility treatment and live births
PS Gromski, ADAC Smith, DA Lawlor, FI Sharara, SM Nelson
SARS-Cov-2 viral and serological screening of staff in 31 European fertility units
SM Nelson, S Ehnert, PS Gromski, T Child, G Trew
Human Reproduction Open, 2020
Application of Chemometrics for the Robust Analysis of Chemical and Biochemical Data
P Gromski
PQDT-UK & Ireland, 2015
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