DeepDelta: predicting ADMET improvements of molecular derivatives with deep learning

por Fralish, Zachary, Chen, Ashley, Skaluba, Paul, Reker, Daniel
Publicado 2023

Target prediction by cascaded self-organizing maps for ligand de-orphaning and side-effect investigation

por Reker, Daniel, Rodrigues, Tiago, Schneider, Petra, Schneider, Gisbert
Publicado 2014

Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for ‘Orphan’ Molecules

por Reutlinger, Michael, Koch, Christian P, Reker, Daniel, Todoroff, Nickolay, Schneider, Petra, Rodrigues, Tiago, Schneider, Gisbert
Publicado 2013

New use of an old drug: inhibition of breast cancer stem cells by benztropine mesylate

por Cui, Jihong, Hollmén, Maija, Li, Lina, Chen, Yong, Proulx, Steven T., Reker, Daniel, Schneider, Gisbert, Detmar, Michael
Publicado 2016

Machine Learning Uncovers Food- and Excipient-Drug Interactions

por Reker, Daniel, Shi, Yunhua, Kirtane, Ameya R., Hess, Kaitlyn, Zhong, Grace J., Crane, Evan, Lin, Chih-Hsin, Langer, Robert, Traverso, Giovanni
Publicado 2020

Predicting protein-ligand interactions based on bow-pharmacological space and Bayesian additive regression trees

por Li, Li, Koh, Ching Chiek, Reker, Daniel, Brown, J. B., Wang, Haishuai, Lee, Nicholas Keone, Liow, Hien-haw, Dai, Hao, Fan, Huai-Meng, Chen, Luonan, Wei, Dong-Qing
Publicado 2019

Diagnosing capillary leak in critically ill patients: development of an innovative scoring instrument for non-invasive detection

por Wollborn, Jakob, Hassenzahl, Lars O., Reker, Daniel, Staehle, Hans Felix, Omlor, Anne Marie, Baar, Wolfgang, Kaufmann, Kai B., Ulbrich, Felix, Wunder, Christian, Utzolino, Stefan, Buerkle, Hartmut, Kalbhenn, Johannes, Heinrich, Sebastian, Goebel, Ulrich
Publicado 2021

Dynamic Monitoring of Systemic Biomarkers with Gastric Sensors

por Steiger, Christoph, Phan, Nhi V., Huang, Hen‐Wei, Sun, Haoying, Chu, Jacqueline N., Reker, Daniel, Gwynne, Declan, Collins, Joy, Tamang, Siddartha, McManus, Rebecca, Lopes, Aaron, Hayward, Alison, Baron, Rebecca M., Kim, Edy Y., Traverso, Giovanni
Publicado 2021

Angiopoietin-2 is associated with capillary leak and predicts complications after cardiac surgery

por Wollborn, Jakob, Zhang, Zilu, Gaa, Julie, Gentner, Moritz, Hausmann, Christian, Saenger, Felix, Weise, Karina, Justice, Samuel, Funk, Jean-Luca, Staehle, Hans Felix, Thomas, Marie, Bruno, Raphael R., Saravi, Babak, Friess, Jan O., Marx, Markus, Buerkle, Hartmut, Trummer, Georg, Muehlschlegel, Jochen D., Reker, Daniel, Goebel, Ulrich, Ulbrich, Felix
Publicado 2023

Computationally guided high-throughput design of self-assembling drug nanoparticles

por Reker, Daniel, Rybakova, Yulia, Kirtane, Ameya R., Cao, Ruonan, Yang, Jee Won, Navamajiti, Natsuda, Gardner, Apolonia, Zhang, Rosanna M., Esfandiary, Tina, L’Heureux, Johanna, von Erlach, Thomas, Smekalova, Elena M., Leboeuf, Dominique, Hess, Kaitlyn, Lopes, Aaron, Rogner, Jaimie, Collins, Joy, Tamang, Siddartha M., Ishida, Keiko, Chamberlain, Paul, Yun, DongSoo, Lytoon-Jean, Abigail, Soule, Christian K., Cheah, Jaime H., Hayward, Alison M., Langer, Robert, Traverso, Giovanni
Publicado 2021