Publications

Found 33 results
Type [ Year(Desc)]
2019
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).
2020
D Reker, EA Hoyt, GJL Bernardes, and T Rodrigues. "Adaptive Optimization of Chemical Reactions with Minimal Experimental Information." Cell Reports Physical Science 1, no. 11 (2020).
N Brown, P Ertl, R Lewis, T Luksch, D Reker, and N Schneider. "Artificial intelligence in chemistry and drug design." Journal of Computer Aided Molecular Design 34, no. 7 (2020): 709-715.
D Reker, SM Blum, P Wade, C Steiger, and G Traverso. "Historical Evolution and Provider Awareness of Inactive Ingredients in Oral Medications." Pharm Res 37, no. 12 (2020).
D Reker, Y Shi, AR Kirtane, K Hess, GJ Zhong, E Crane, C-H Lin, R Langer, and G Traverso. "Machine Learning Uncovers Food- and Excipient-Drug Interactions." Cell Reports 30, no. 11 (2020): 3710-3716.e4.
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.
2021
D Reker, Y Rybakova, AR Kirtane, R Cao, JW Yang, N Navamajiti, A Gardner, RM Zhang, T Esfandiary, J L'Heureux et al. "Computationally guided high-throughput design of self-assembling drug nanoparticles." Nature Nanotechnology 16, no. 6 (2021): 725-733.

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