Lewis Mervin
Lewis Mervin
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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), 1-16, 2015
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
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
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
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
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
Uncertainty quantification in drug design
LH Mervin, S Johansson, E Semenova, KA Giblin, O Engkvist
Drug discovery today 26 (2), 474-489, 2021
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, ...
PloS one 10 (10), e0139798, 2015
Current trends in drug sensitivity prediction
I Cortes-Ciriano, L H Mervin, A Bender
Current Pharmaceutical Design 22 (46), 6918-6927, 2016
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), 1-19, 2017
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
Systemic neurotransmitter responses to clinically approved and experimental neuropsychiatric drugs
HR Noori, LH Mervin, V Bokharaie, Durmus, L Egenrieder, S Fritze, ...
Nature communications 9 (1), 1-14, 2018
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
MOLPRINT 2D-based identification and synthesis of novel chromene based small molecules that target PLA2: validation through chemo-and bioinformatics approaches
HK Keerthy, HK Vivek, H Bharathkumar, S Rangappa, KC Bulusu, ...
RSC advances 5 (109), 89797-89808, 2015
Extending in Silico Protein Target Prediction Models to Include Functional Effects
LH Mervin, AM Afzal, L Brive, O Engkvist, A Bender
Frontiers in pharmacology 9, 613, 2018
Leveraging heterogeneous data from GHS toxicity annotations, molecular and protein target descriptors and Tox21 assay readouts to predict and rationalise acute toxicity
CHG Allen, LH Mervin, SY Mahmoud, A Bender
Journal of cheminformatics 11 (1), 1-19, 2019
Towards the mode of action of Strobilanthes crispus through integrated computational and experimental analyses
KK Wong, LH Mervin, A Mazzolari, A Bender, NS Yaacob
Journal of Plant Biochemistry and Biotechnology 26 (4), 451-466, 2017
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
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), 1-17, 2021
Neurochemical underpinning of hemodynamic response to neuropsychiatric drugs: A meta-and cluster analysis of preclinical studies
LH Mervin, E Mitricheva, NK Logothetis, A Bifone, A Bender, HR Noori
Journal of Cerebral Blood Flow & Metabolism 41 (4), 874-885, 2021
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