E-LIB Suche - Ergebnisse für: Ekins, Sean

1

Sequential Contrastive and Deep Learning Models to Identify..:

Ozalp, Mustafa Kemal ; Vignaux, Patricia A. ; Puhl, Ana C....
Journal of Chemical Information and Modeling. 64 (2024) 8 - p. 3161-3172 , 2024

Link: https://doi.org/10.1021/..

2

Machine learning-aided search for ligands of P2Y6 and other..:

Puhl, Ana C. ; Lewicki, Sarah A. ; Gao, Zhan-Guo...
Purinergic Signalling. , 2024

Link: https://doi.org/10.1007/..

3

The Goldilocks paradigm: comparing classical machine learni..:

Snyder, Scott H. ; Vignaux, Patricia A. ; Ozalp, Mustafa Kemal...
Communications Chemistry. 7 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

4

Computational drug repositioning identifies niclosamide and..:

Yang, Jeremy J. ; Goff, Aaron ; Wild, David J....
Tuberculosis. 146 (2024) - p. 102500 , 2024

Link: https://doi.org/10.1016/..

5

Identification of New Modulators and Inhibitors of Palmitoy..:

Puhl, Ana C. ; Raman, Renuka ; Havener, Tammy M....
ACS Omega. 9 (2024) 10 - p. 11870-11882 , 2024

Link: https://doi.org/10.1021/..

6

Efficacy of an isoxazole-3-carboxamide analog of pleconaril..:

Lane, Thomas R. ; Fu, Jianing ; Sherry, Barbara...
Antiviral Research. 216 (2023) - p. 105654 , 2023

Link: https://doi.org/10.1016/..

7

Antiviral Evaluation of Dispirotripiperazines against Hepat..:

Jones, Thane ; Tavis, John E. ; Li, Qilan...
Journal of Medicinal Chemistry. 66 (2023) 17 - p. 12459-12467 , 2023

Link: https://doi.org/10.1021/..

8

Human CYP2C19 Substrate and Inhibitor Characterization of O..:

Vignaux, Patricia A. ; Shriwas, Pratik ; Revnew, Andre...
Chemical Research in Toxicology. 36 (2023) 9 - p. 1451-1455 , 2023

Link: https://doi.org/10.1021/..

9

N-Phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-3-amine as a N..:

Lane, Thomas ; Makarov, Vadim ; Nelson, Julie A. E....
Journal of Medicinal Chemistry. 66 (2023) 9 - p. 6193-6217 , 2023

Link: https://doi.org/10.1021/..

10

Discovery of PLpro and Mpro Inhibitors for SARS-CoV-2:

Puhl, Ana C. ; Godoy, Andre S. ; Noske, Gabriela D....
ACS Omega. 8 (2023) 25 - p. 22603-22612 , 2023

Link: https://doi.org/10.1021/..

11

Comparing LD50/LC50 Machine Learning Models for Multiple Sp..:

Lane, Thomas R. ; Harris, Joshua ; Urbina, Fabio.
ACS Chemical Health & Safety. 30 (2023) 2 - p. 83-97 , 2023

Link: https://doi.org/10.1021/..

12

Preventing AI From Creating Biochemical Threats:

Urbina, Fabio ; Lentzos, Filippa ; Invernizzi, Cédric.
Journal of Chemical Information and Modeling. 63 (2023) 3 - p. 691-694 , 2023

Link: https://doi.org/10.1021/..

13

The protein disulfide isomerase inhibitor 3-methyltoxoflavi..:

Puhl, Ana C. ; Fernandes, Rafaela S. ; Godoy, Andre S....
Bioorganic & Medicinal Chemistry. 83 (2023) - p. 117239 , 2023

Link: https://doi.org/10.1016/..

14

Targeted Metabolomics of Organophosphate Pesticides and Che..:

Agarwal, Garima ; Tichenor, Hunter ; Roo, Sarah...
Metabolites. 13 (2023) 4 - p. 495 , 2023

Link: https://doi.org/10.3390/..

15

Learning from COVID-19: How drug hunters can prepare for th..:

Puhl, Ana C. ; Lane, Thomas R. ; Ekins, Sean
Drug Discovery Today. 28 (2023) 10 - p. 103723 , 2023

Link: https://doi.org/10.1016/..