| Analyzing learned molecular representations for property prediction K Yang, K Swanson, W Jin, C Coley, P Eiden, H Gao, A Guzman-Perez, ... Journal of chemical information and modeling 59 (8), 3370-3388, 2019 | 1504 | 2019 |
| FDR-controlled metabolite annotation for high-resolution imaging mass spectrometry A Palmer, P Phapale, I Chernyavsky, R Lavigne, D Fay, A Tarasov, ... Nature methods 14 (1), 57-60, 2017 | 425 | 2017 |
| Current and future roles of artificial intelligence in medicinal chemistry synthesis TJ Struble, JC Alvarez, SP Brown, M Chytil, J Cisar, RL DesJarlais, ... Journal of medicinal chemistry 63 (16), 8667-8682, 2020 | 203 | 2020 |
| Hyperspectral visualization of mass spectrometry imaging data JM Fonville, CL Carter, L Pizarro, RT Steven, AD Palmer, RL Griffiths, ... Analytical chemistry 85 (3), 1415-1423, 2013 | 139 | 2013 |
| SpectralAnalysis: software for the masses AM Race, AD Palmer, A Dexter, RT Steven, IB Styles, J Bunch Analytical chemistry 88 (19), 9451-9458, 2016 | 120 | 2016 |
| N-acyl taurines and acylcarnitines cause an imbalance in insulin synthesis and secretion provoking β cell dysfunction in type 2 diabetes M Aichler, D Borgmann, J Krumsiek, A Buck, PE MacDonald, JEM Fox, ... Cell metabolism 25 (6), 1334-1347. e4, 2017 | 100 | 2017 |
| Benchmark datasets for 3D MALDI-and DESI-imaging mass spectrometry J Oetjen, K Veselkov, J Watrous, JS McKenzie, M Becker, ... GigaScience 4, 1-8, 2015 | 75 | 2015 |
| Memory efficient principal component analysis for the dimensionality reduction of large mass spectrometry imaging data sets AM Race, RT Steven, AD Palmer, IB Styles, J Bunch Analytical chemistry 85 (6), 3071-3078, 2013 | 67 | 2013 |
| Where imaging mass spectrometry stands: here are the numbers A Palmer, D Trede, T Alexandrov Metabolomics 12, 1-3, 2016 | 57 | 2016 |
| Serial 3D imaging mass spectrometry at its tipping point AD Palmer, T Alexandrov Analytical chemistry 87 (8), 4055-4062, 2015 | 55 | 2015 |
| Sucrose cryo‐protection facilitates imaging of whole eye sections by MALDI mass spectrometry AD Palmer, R Griffiths, I Styles, E Claridge, A Calcagni, J Bunch Journal of Mass Spectrometry 47 (2), 237-241, 2012 | 44 | 2012 |
| Are learned molecular representations ready for prime time? K Yang, K Swanson, W Jin, C Coley, H Gao, A Guzman-Perez, T Hopper, ... | 40 | 2019 |
| An approach to optimize sample preparation for MALDI imaging MS of FFPE sections using fractional factorial design of experiments J Oetjen, D Lachmund, A Palmer, T Alexandrov, M Becker, T Boskamp, ... Analytical and bioanalytical chemistry 408, 6729-6740, 2016 | 32 | 2016 |
| The use of random projections for the analysis of mass spectrometry imaging data AD Palmer, J Bunch, IB Styles Journal of The American Society for Mass Spectrometry 26 (2), 315-322, 2014 | 30 | 2014 |
| Randomized approximation methods for the efficient compression and analysis of hyperspectral data AD Palmer, J Bunch, IB Styles Analytical chemistry 85 (10), 5078-5086, 2013 | 30 | 2013 |
| Enhancing cysteine chemoproteomic coverage through systematic assessment of click chemistry product fragmentation T Yan, AB Palmer, DJ Geiszler, DA Polasky, LM Boatner, NR Burton, ... Analytical Chemistry 94 (9), 3800-3810, 2022 | 27 | 2022 |
| Key read across framework components and biology based improvements N Ball, J Madden, A Paini, M Mathea, AD Palmer, S Sperber, T Hartung, ... Mutation Research/Genetic Toxicology and Environmental Mutagenesis 853, 503172, 2020 | 27 | 2020 |
| Using collective expert judgements to evaluate quality measures of mass spectrometry images A Palmer, E Ovchinnikova, M Thune, R Lavigne, B Guevel, A Dyatlov, ... Bioinformatics 31 (12), i375-i384, 2015 | 24 | 2015 |
| Curatr: A web application for creating, curating and sharing a mass spectral library A Palmer, P Phapale, D Fay, T Alexandrov Bioinformatics 34 (8), 1436-1438, 2018 | 17 | 2018 |
| Data-driven rescoring of metabolite annotations significantly improves sensitivity AS C. Silva, A Palmer, V Kovalev, A Tarasov, T Alexandrov, L Martens, ... Analytical chemistry 90 (19), 11636-11642, 2018 | 9 | 2018 |
Theodore AlexandrovUCSDVahvistettu sähköpostiosoite verkkotunnuksessa embl.de
