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Mervin, Lewis
77
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Online (77)
Mediatypes
Articles (Online) (35)
Bookchapter (Online) (1)
OpenAccess-fulltext (41)
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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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
1-15