E-LIB Suche - Ergebnisse für: Ter Laak, Antonius

1

Best of both worlds: An expansion of the state of the art p..:

Fraczkiewicz, Robert ; Quoc Nguyen, Huy ; Wu, Newton...
Molecular Informatics. , 2024

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

2

Large-scale evaluation of k-fold cross-validation ensembles..:

Dutschmann, Thomas-Martin ; Kinzel, Lennart ; ter Laak, Antonius.
Journal of Cheminformatics. 15 (2023) 1 - p. , 2023

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

3

Discovery and Characterization of the Potent and Highly Sel..:

Wortmann, Lars ; Bräuer, Nico ; Holton, Simon J....
Journal of Medicinal Chemistry. 64 (2021) 21 - p. 15883-15911 , 2021

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

4

Characterization of the Menin-MLL Interaction as Therapeuti..:

Brzezinka, Krzysztof ; Nevedomskaya, Ekaterina ; Lesche, Ralf...
Cancers. 12 (2020) 1 - p. 201 , 2020

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

5

Bayer's in silico ADMET platform: a journey of machine lear..:

Göller, Andreas H. ; Kuhnke, Lara ; Montanari, Floriane...
Drug Discovery Today. 25 (2020) 9 - p. 1702-1709 , 2020

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

6

Discovery and Characterization of the Potent and Selective ..:

Werner, Stefan ; Mesch, Stefanie ; Hillig, Roman C....
Journal of Medicinal Chemistry. 62 (2019) 24 - p. 11194-11217 , 2019

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

7

Identification of a Benzimidazolecarboxylic Acid Derivative..:

Bäurle, Stefan ; Nagel, Jens ; Peters, Olaf...
Journal of Medicinal Chemistry. 62 (2019) 5 - p. 2541-2563 , 2019

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

8

Modeling Physico-Chemical ADMET Endpoints with Multitask Gr..:

Montanari, Floriane ; Kuhnke, Lara ; Ter Laak, Antonius.
Molecules. 25 (2019) 1 - p. 44 , 2019

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

9

Mechanistic Reactivity Descriptors for the Prediction of Am..:

Kuhnke, Lara ; ter Laak, Antonius ; Göller, Andreas H.
Journal of Chemical Information and Modeling. 59 (2019) 2 - p. 668-672 , 2019

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

10

Discovery and optimization of pyridyl-cycloalkyl-carboxylic..:

Koppitz, Marcus ; Bräuer, Nico ; Ter Laak, Antonius...
Bioorganic & Medicinal Chemistry Letters. 29 (2019) 18 - p. 2700-2705 , 2019

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

11

Isoform-Selective ATAD2 Chemical Probe with Novel Chemical ..:

Fernández-Montalván, Amaury E. ; Berger, Markus ; Kuropka, Benno...
ACS Chemical Biology. 12 (2017) 11 - p. 2730-2736 , 2017

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

12

Efficiency of different measures for defining the applicabi..:

Klingspohn, Waldemar ; Mathea, Miriam ; ter Laak, Antonius..
Journal of Cheminformatics. 9 (2017) 1 - p. , 2017

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

13

Benzoisoquinolinediones as Potent and Selective Inhibitors ..:

Bouché, Léa ; Christ, Clara D. ; Siegel, Stephan...
Journal of Medicinal Chemistry. 60 (2017) 9 - p. 4002-4022 , 2017

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

14

Discovery and Characterization of a Highly Potent and Selec..:

Eggert, Erik ; Hillig, Roman C. ; Koehr, Silke...
Journal of Medicinal Chemistry. 59 (2016) 10 - p. 4578-4600 , 2016

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

15

Chemogenomic Analysis of G-Protein Coupled Receptors and Th..:

Wichard, Jörg D. ; ter Laak, Antonius ; Krause, Gerd...
PLoS ONE. 6 (2011) 2 - p. e16811 , 2011

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