E-LIB Suche - Ergebnisse für: Mervin, Lewis

1

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

Mervin, Lewis ; Voronov, Alexey ; Kabeshov, Mikhail.
Journal of Chemical Information and Modeling. , 2024

2

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/..

3

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/..

4

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/..

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

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/..

7

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/..

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/..