Large-scale evaluation of k-fold cross-validation ensembles for uncertainty estimation

por Dutschmann, Thomas-Martin, Kinzel, Lennart, ter Laak, Antonius, Baumann, Knut
Publicado 2023

Modeling Physico-Chemical ADMET Endpoints with Multitask Graph Convolutional Networks

por Montanari, Floriane, Kuhnke, Lara, Ter Laak, Antonius, Clevert, Djork-Arné
Publicado 2019

Efficiency of different measures for defining the applicability domain of classification models

por Klingspohn, Waldemar, Mathea, Miriam, ter Laak, Antonius, Heinrich, Nikolaus, Baumann, Knut
Publicado 2017

Chemogenomic Analysis of G-Protein Coupled Receptors and Their Ligands Deciphers Locks and Keys Governing Diverse Aspects of Signalling

por Wichard, Jörg D., ter Laak, Antonius, Krause, Gerd, Heinrich, Nikolaus, Kühne, Ronald, Kleinau, Gunnar
Publicado 2011

Comprehensive and Automated Linear Interaction Energy Based Binding-Affinity Prediction for Multifarious Cytochrome P450 Aromatase Inhibitors

por van Dijk, Marc, ter Laak, Antonius M., Wichard, Jörg D., Capoferri, Luigi, Vermeulen, Nico P. E., Geerke, Daan P.
Publicado 2017

Characterization of the Menin-MLL Interaction as Therapeutic Cancer Target

por Brzezinka, Krzysztof, Nevedomskaya, Ekaterina, Lesche, Ralf, Haegebarth, Andrea, ter Laak, Antonius, Fernández-Montalván, Amaury E., Eberspaecher, Uwe, Werbeck, Nicolas D., Moenning, Ursula, Siegel, Stephan, Haendler, Bernard, Eheim, Ashley L., Stresemann, Carlo
Publicado 2020

Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains

por Bouché, Léa, Christ, Clara D., Siegel, Stephan, Fernández-Montalván, Amaury E., Holton, Simon J., Fedorov, Oleg, ter Laak, Antonius, Sugawara, Tatsuo, Stöckigt, Detlef, Tallant, Cynthia, Bennett, James, Monteiro, Octovia, Díaz-Sáez, Laura, Siejka, Paulina, Meier, Julia, Pütter, Vera, Weiske, Jörg, Müller, Susanne, Huber, Kilian V. M., Hartung, Ingo V., Haendler, Bernard
Publicado 2017

Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (BAY-598) for the Protein Lysine Methyltransferase SMYD2

por Eggert, Erik, Hillig, Roman C., Koehr, Silke, Stöckigt, Detlef, Weiske, Jörg, Barak, Naomi, Mowat, Jeffrey, Brumby, Thomas, Christ, Clara D., ter Laak, Antonius, Lang, Tina, Fernandez-Montalvan, Amaury E., Badock, Volker, Weinmann, Hilmar, Hartung, Ingo V., Barsyte-Lovejoy, Dalia, Szewczyk, Magdalena, Kennedy, Steven, Li, Fengling, Vedadi, Masoud, Brown, Peter J., Santhakumar, Vijayaratnam, Arrowsmith, Cheryl H., Stellfeld, Timo, Stresemann, Carlo
Publicado 2016

Isoform-Selective ATAD2 Chemical Probe with Novel Chemical Structure and Unusual Mode of Action

por Fernández-Montalván, Amaury E., Berger, Markus, Kuropka, Benno, Koo, Seong Joo, Badock, Volker, Weiske, Joerg, Puetter, Vera, Holton, Simon J., Stöckigt, Detlef, ter Laak, Antonius, Centrella, Paolo A., Clark, Matthew A., Dumelin, Christoph E., Sigel, Eric A., Soutter, Holly H., Troast, Dawn M., Zhang, Ying, Cuozzo, John W., Keefe, Anthony D., Roche, Didier, Rodeschini, Vincent, Chaikuad, Apirat, Díaz-Sáez, Laura, Bennett, James M., Fedorov, Oleg, Huber, Kilian V. M., Hübner, Jan, Weinmann, Hilmar, Hartung, Ingo V., Gorjánácz, Mátyás
Publicado 2017