Publications

Found 33 results
[ Type(Desc)] Year
Journal Article
D Reker, P Schneider, and G Schneider. "Multi-objective active machine learning rapidly improves structure-activity models and reveals new protein-protein interaction inhibitors." Chem. Sci. 7, no. 6 (2016): 3919-3927.
J Cui, M Hollmén, L Li, Y Chen, ST Proulx, D Reker, G Schneider, and M Detmar. "New use of an old drug: inhibition of breast cancer stem cells by benztropine mesylate." Oncotarget 8, no. 1 (2017): 1007-1022.
D Reker. "Practical considerations for active machine learning in drug discovery." Drug Discovery Today: Technologies 32-33 (2019): 73-79.
L Li, CC Koh, D Reker, JB Brown, H Wang, NK Lee, H-H Liow, H Dai, H-M Fan, L Chen et al. "Predicting protein-ligand interactions based on bow-pharmacological space and Bayesian additive regression trees." Scientific Reports 9, no. 1 (2019).
D Reker, AM Perna, T Rodrigues, P Schneider, M Reutlinger, B Mönch, A Koeberle, C Lamers, M Gabler, H Steinmetz et al. "Revealing the macromolecular targets of complex natural products." Nature Chemistry 6, no. 12 (2014): 1072-1078.
T Rodrigues, D Reker, J Kunze, P Schneider, and G Schneider. "Revealing the Macromolecular Targets of Fragment-Like Natural Products." Angewandte Chemie International Edition 54, no. 36 (2015): 10516-10520.
T von Erlach, S Saxton, Y Shi, D Minahan, D Reker, F Javid, Y-AL Lee, C Schoellhammer, T Esfandiary, C Cleveland et al. "Robotically handled whole-tissue culture system for the screening of oral drug formulations." Nature Biomedical Engineering 4, no. 5 (2020): 544-559.
P Schneider, M Röthlisberger, D Reker, and G Schneider. "Spotting and designing promiscuous ligands for drug discovery." Chemical Communications 52, no. 6 (2016): 1135-1138.

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