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 | 878 | 2015 |
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 | 224 | 2019 |
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 | 202 | 2014 |
Universal Chemical Synthesis and Discovery with ‘The Chemputer’ PS Gromski, JM Granda, L Cronin Trends in Chemistry 2 (1), 4-12, 2020 | 124 | 2020 |
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 | 122 | 2014 |
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 | 118 | 2021 |
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 | 92 | 2015 |
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 | 87 | 2014 |
Designing algorithms to aid discovery by chemical robots AB Henson, PS Gromski, L Cronin ACS central science 4 (7), 793-804, 2018 | 79 | 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 | 52 | 2019 |
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 | 44 | 2021 |
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), 28, 2019 | 31 | 2019 |
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 | 30 | 2020 |
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 | 30 | 2016 |
Neonatal and early childhood outcomes following maternal anesthesia for cesarean section: a population-based cohort study RJ Kearns, M Shaw, PS Gromski, S Iliodromiti, JP Pell, DA Lawlor, ... Regional Anesthesia & Pain Medicine 46 (6), 482-489, 2021 | 22 | 2021 |
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 | 22 | 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 | 19 | 2017 |
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 REPRODUCTIVE BIOMEDICINE ONLINE 42 (6), 1087-1096, 2021 | 17 | 2021 |
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 | 11 | 2017 |
Contraceptive-specific antimüllerian hormone values in reproductive-age women: a population study of 42,684 women SM Nelson, BJ Ewing, PS Gromski, SF Briggs Fertility and Sterility 119 (6), 1069-1077, 2023 | 10 | 2023 |