E-LIB Suche - Ergebnisse für: Kuenemann, Melaine A.

1

Molecular Property Prediction based on Bimodal Supervised C..:

, In: 2022 IEEE International Conference on Bioinformatics and Biomedicine (BIBM),

Sun, Yan ; Islam, Mohaiminul ; Zahedi, Ehsan... - p. 394-397 , 2022

Link: https://doi.org/10.1109/..

2

Artificial intelligence-enhanced drug design and developmen..:

Moingeon, Philippe ; Kuenemann, Mélaine ; Guedj, Mickaël
Drug Discovery Today. 27 (2022) 1 - p. 215-222 , 2022

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

3

Targeting non-alcoholic fatty liver disease: Design, X-ray ..:

Kiyeleko, Scarlett ; Hocine, Sofiane ; Mautino, Giséle...
Bioorganic & Medicinal Chemistry Letters. 75 (2022) - p. 128950 , 2022

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

4

Improved Lipophilicity and Aqueous Solubility Prediction wi..:

Wieder, Oliver ; Kuenemann, Mélaine ; Wieder, Marcus...
Molecules. 26 (2021) 20 - p. 6185 , 2021

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

5

New machine learning and physics-based scoring functions fo..:

Guedes, Isabella A. ; Barreto, André M. S. ; Marinho, Diogo...
Scientific Reports. 11 (2021) 1 - p. , 2021

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

6

A compact review of molecular property prediction with grap..:

Wieder, Oliver ; Kohlbacher, Stefan ; Kuenemann, Mélaine...
Drug Discovery Today: Technologies. 37 (2020) - p. 1-12 , 2020

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

7

Identifying individual risk rare variants using protein str..:

Marceau West, Rachel ; Lu, Wenbin ; Rotroff, Daniel M....
PLOS Computational Biology. 15 (2019) 2 - p. e1006722 , 2019

Link: https://doi.org/10.1371/..

8

Cheminformatics approach to exploring and modeling trait-as..:

Ash, Jeremy R. ; Kuenemann, Melaine A. ; Rotroff, Daniel..
Journal of Cheminformatics. 11 (2019) 1 - p. , 2019

Link: https://doi.org/10.1186/..

9

Toward the Rational Design of Sustainable Hair Dyes Using C..:

Williams, Tova N. ; Kuenemann, Melaine A. ; Van Den Driessche, George A....
ACS Sustainable Chemistry & Engineering. 6 (2018) 2 - p. 2344-2352 , 2018

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

10

In silico Predicted Glucose‐1‐phosphate Uridylyltransferase..:

Kuenemann, Melaine A. ; Spears, Patricia A. ; Orndorff, Paul E..
Molecular Informatics. 37 (2018) 6-7 - p. , 2018

Link: https://doi.org/10.1002/..

11

Cheminformatics Analysis of Dynamic WNK‐Inhibitor Interacti..:

Kuenemann, Melaine A. ; Fourches, Denis
Molecular Informatics. 37 (2018) 6-7 - p. , 2018

Link: https://doi.org/10.1002/..

12

Privileged Substructures to Modulate Protein–Protein Intera..:

Bosc, Nicolas ; Kuenemann, Mélaine A. ; Bécot, Jerome...
Journal of Chemical Information and Modeling. 57 (2017) 10 - p. 2448-2462 , 2017

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

13

Cheminformatics Modeling of Amine Solutions for Assessing t..:

Kuenemann, Melaine A. ; Fourches, Denis
Molecular Informatics. 36 (2017) 7 - p. 1600143 , 2017

Link: https://doi.org/10.1002/..

14

Weaver's historic accessible collection of synthetic dyes: ..:

Kuenemann, Melaine A. ; Szymczyk, Malgorzata ; Chen, Yufei...
Chemical Science. 8 (2017) 6 - p. 4334-4339 , 2017

Link: https://doi.org/10.1039/..

15

Imbalance in chemical space: How to facilitate the identifi..:

Kuenemann, Mélaine A. ; Labbé, Céline M. ; Cerdan, Adrien H..
Scientific Reports. 6 (2016) 1 - p. , 2016

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