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Lewis Mervin
Lewis Mervin
Verified email at astrazeneca.com
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Cited by
Year
Target prediction utilising negative bioactivity data covering large chemical space
LH Mervin, AM Afzal, G Drakakis, R Lewis, O Engkvist, A Bender
Journal of cheminformatics 7, 1-16, 2015
1322015
Trisubstituted-imidazoles induce apoptosis in human breast cancer cells by targeting the oncogenic PI3K/Akt/mTOR signaling pathway
CD Mohan, V Srinivasa, S Rangappa, L Mervin, S Mohan, S Paricharak, ...
PLoS One 11 (4), e0153155, 2016
1242016
Uncertainty quantification in drug design
LH Mervin, S Johansson, E Semenova, KA Giblin, O Engkvist
Drug discovery today 26 (2), 474-489, 2021
632021
Toward understanding the cold, hot, and neutral nature of Chinese medicines using in silico mode-of-action analysis
X Fu, LH Mervin, X Li, H Yu, J Li, SZ Mohamad Zobir, A Zoufir, Y Zhou, ...
Journal of chemical information and modeling 57 (3), 468-483, 2017
572017
Understanding cytotoxicity and cytostaticity in a high-throughput screening collection
LH Mervin, Q Cao, IP Barrett, MA Firth, D Murray, L McWilliams, ...
ACS chemical biology 11 (11), 3007-3023, 2016
562016
Optimizing the Cell Painting assay for image-based profiling
BA Cimini, SN Chandrasekaran, M Kost-Alimova, L Miller, A Goodale, ...
Nature protocols 18 (7), 1981-2013, 2023
512023
Novel adamantanyl-based thiadiazolyl pyrazoles targeting EGFR in triple-negative breast cancer
A Sebastian, V Pandey, CD Mohan, YT Chia, S Rangappa, J Mathai, ...
ACS omega 1 (6), 1412-1424, 2016
472016
Orthologue chemical space and its influence on target prediction
LH Mervin, KC Bulusu, L Kalash, AM Afzal, F Svensson, MA Firth, I Barrett, ...
Bioinformatics 34 (1), 72-79, 2018
432018
JUMP Cell Painting dataset: morphological impact of 136,000 chemical and genetic perturbations
SN Chandrasekaran, J Ackerman, E Alix, DM Ando, J Arevalo, M Bennion, ...
Biorxiv, 2023.03. 23.534023, 2023
362023
Comparison of chemical structure and cell morphology information for multitask bioactivity predictions
MA Trapotsi, LH Mervin, AM Afzal, N Sturm, O Engkvist, IP Barrett, ...
Journal of chemical information and modeling 61 (3), 1444-1456, 2021
312021
Cell morphological profiling enables high-throughput screening for PROteolysis TArgeting Chimera (PROTAC) phenotypic signature
MA Trapotsi, E Mouchet, G Williams, T Monteverde, K Juhani, R Turkki, ...
ACS Chemical Biology 17 (7), 1733-1744, 2022
292022
Melloddy: Cross-pharma federated learning at unprecedented scale unlocks benefits in qsar without compromising proprietary information
W Heyndrickx, L Mervin, T Morawietz, N Sturm, L Friedrich, A Zalewski, ...
Journal of chemical information and modeling, 2023
262023
A Nano-MgO and ionic liquid-catalyzed ‘green’synthesis protocol for the development of adamantyl-imidazolo-thiadiazoles as anti-tuberculosis agents targeting sterol 14α …
S Anusha, B Cp, CD Mohan, J Mathai, S Rangappa, S Mohan, Chandra, ...
PLoS One 10 (10), e0139798, 2015
252015
Industry-scale orchestrated federated learning for drug discovery
M Oldenhof, G Ács, B Pejó, A Schuffenhauer, N Holway, N Sturm, ...
Proceedings of the AAAI Conference on Artificial Intelligence 37 (13), 15576 …, 2023
232023
Comparison of scaling methods to obtain calibrated probabilities of activity for protein–ligand predictions
LH Mervin, AM Afzal, O Engkvist, A Bender
Journal of Chemical Information and Modeling 60 (10), 4546-4559, 2020
202020
Current trends in drug sensitivity prediction
I Cortes-Ciriano, L H Mervin, A Bender
Current pharmaceutical design 22 (46), 6918-6927, 2016
192016
Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseases
L Kalash, C Val, J Azuaje, MI Loza, F Svensson, A Zoufir, L Mervin, ...
Journal of cheminformatics 9, 1-19, 2017
182017
Systemic neurotransmitter responses to clinically approved and experimental neuropsychiatric drugs
HR Noori, LH Mervin, V Bokharaie, Ö Durmus, L Egenrieder, S Fritze, ...
Nature Communications 9 (1), 4699, 2018
152018
Probabilistic Random Forest improves bioactivity predictions close to the classification threshold by taking into account experimental uncertainty
LH Mervin, MA Trapotsi, AM Afzal, IP Barrett, A Bender, O Engkvist
Journal of Cheminformatics 13, 1-17, 2021
122021
Reinvent 4: Modern AI–driven generative molecule design
HH Loeffler, J He, A Tibo, JP Janet, A Voronov, LH Mervin, O Engkvist
Journal of Cheminformatics 16 (1), 20, 2024
102024
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