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Mervin, Lewis
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1

QSARtuna: An Automated QSAR Modeling Platform for Molecular..:

Mervin, Lewis ; Voronov, Alexey ; Kabeshov, Mikhail.
Journal of Chemical Information and Modeling.  64 (2024)  14 - p. 5365-5374 , 2024
Link: https://doi.org/10.1021/..
 
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2

Data‐driven approaches for identifying hyperparameters in m..:

Westerlund, Annie M. ; Barge, Bente ; Mervin, Lewis.
Molecular Informatics.  42 (2023)  11 - p. , 2023
Link: https://doi.org/10.1002/..
 
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3

MELLODDY: Cross-pharma Federated Learning at Unprecedented ..:

Heyndrickx, Wouter ; Mervin, Lewis ; Morawietz, Tobias...
Journal of Chemical Information and Modeling.  64 (2023)  7 - p. 2331-2344 , 2023
Link: https://doi.org/10.1021/..
 
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4

Conformal efficiency as a metric for comparative model asse..:

Heyndrickx, Wouter ; Arany, Adam ; Simm, Jaak...
Artificial Intelligence in the Life Sciences.  3 (2023)  - p. 100070 , 2023
Link: https://doi.org/10.1016/..
 
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5

Artificial intelligence in molecular de novo design: Integr..:

Janet, Jon Paul ; Mervin, Lewis ; Engkvist, Ola
Current Opinion in Structural Biology.  80 (2023)  - p. 102575 , 2023
Link: https://doi.org/10.1016/..
 
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6

AI for drug design: From explicit rules to deep learning:

Mervin, Lewis ; Genheden, Samuel ; Engkvist, Ola
Artificial Intelligence in the Life Sciences.  2 (2022)  - p. 100041 , 2022
Link: https://doi.org/10.1016/..
 
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7

Cell Morphological Profiling Enables High-Throughput Screen..:

Trapotsi, Maria-Anna ; Mouchet, Elizabeth ; Williams, Guy...
ACS Chemical Biology.  17 (2022)  7 - p. 1733-1744 , 2022
Link: https://doi.org/10.1021/..
 
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8

Synthesis and SAR of novel GPR39 agonists and positive allo..:

Burley, Russell ; Hewer, Richard C. ; Teall, Martin...
Bioorganic & Medicinal Chemistry Letters.  61 (2022)  - p. 128607 , 2022
Link: https://doi.org/10.1016/..
 
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9

Computer-aided design of multi-target ligands at A1R, A2AR ..:

Kalash, Leen ; Val, Cristina ; Azuaje, Jhonny...
Journal of Cheminformatics.  9 (2017)  1 - p. , 2017
Link: https://doi.org/10.1186/..
 
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10

Trisubstituted-Imidazoles Induce Apoptosis in Human Breast ..:

Mohan, Chakrabhavi Dhananjaya ; Srinivasa, V. ; Rangappa, Shobith...
PLOS ONE.  11 (2016)  4 - p. e0153155 , 2016
Link: https://doi.org/10.1371/..
 
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11

A Nano-MgO and Ionic Liquid-Catalyzed 'Green' Synthesis Pro..:

Anusha, Sebastian ; CP, Baburajeev ; Mohan, Chakrabhavi Dhananjaya...
PLOS ONE.  10 (2015)  10 - p. e0139798 , 2015
Link: https://doi.org/10.1371/..
 
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12

Reinvent 4: Modern AI–driven generative molecule design:

Loeffler, Hannes H. ; He, Jiazhen ; Tibo, Alessandro...
Journal of Cheminformatics.  16 (2024)  1 - p. , 2024
Link: https://doi.org/10.1186/..
 
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13

Optimizing the Cell Painting assay for image-based profilin:

Cimini, Beth A. ; Chandrasekaran, Srinivas Niranj ; Kost-Alimova, Maria...
Nature Protocols.  18 (2023)  7 - p. 1981-2013 , 2023
Link: https://doi.org/10.1038/..
 
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14

An industrial evaluation of proteochemometric modelling: Pr..:

Stroobants, Astrid ; Mervin, Lewis H. ; Engkvist, Ola.
Artificial Intelligence in the Life Sciences.  4 (2023)  - p. 100079 , 2023
Link: https://doi.org/10.1016/..
 
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15

In silico prediction and biological assessment of novel ang..:

Zhu, Yingli ; Yang, Hongbin ; Han, Liwen...
Frontiers in Pharmacology.  14 (2023)  - p. , 2023
Link: https://doi.org/10.3389/..
 
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