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2020 – today
- 2024
[j8]Chloe Markey, Samuel Croset, Olivia Ruth Woolley, Can Martin Buldun, Christian Koch, Daniel Koller, Daniel Reker:
Characterizing emerging companies in computational drug development. Nat. Comput. Sci. 4(2): 96-103 (2024)- [j7]Zachary Fralish, Daniel Reker:
Taking a deep dive with active learning for drug discovery. Nat. Comput. Sci. 4(10): 727-728 (2024) - 2023
- [j6]Zachary Fralish
, Ashley Chen, Paul Skaluba, Daniel Reker:
DeepDelta: predicting ADMET improvements of molecular derivatives with deep learning. J. Cheminformatics 15(1): 101 (2023) - [j5]Yan Xiang, Yu-Hang Tang, Guang Lin, Daniel Reker:
Interpretable Molecular Property Predictions Using Marginalized Graph Kernels. J. Chem. Inf. Model. 63(15): 4633-4640 (2023) - 2021
- [i1]Kuan Lee, Ann Yang, Yen-Chu Lin, Daniel Reker, Gonçalo J. L. Bernardes, Tiago Rodrigues:
Combating small molecule aggregation with machine learning. CoRR abs/2105.00267 (2021) - 2020
- [j4]Nathan Brown, Peter Ertl, Richard A. Lewis, Torsten Luksch, Daniel Reker, Nadine Schneider:
Artificial intelligence in chemistry and drug design. J. Comput. Aided Mol. Des. 34(7): 709-715 (2020)
2010 – 2019
- 2019
- [j3]Daniel Reker, Richard A. Lewis:
Advanced Editorial to announce a JCAMD Special Issue on Artificial Intelligence and Machine Learning. J. Comput. Aided Mol. Des. 33(11): 941 (2019) - 2014
- [j2]Daniel Reker, Tiago Rodrigues, Petra Schneider, Gisbert Schneider:
Target prediction by cascaded self-organizing maps for ligand de-orphaning and side-effect investigation. J. Cheminformatics 6(S-1): 47 (2014) - 2010
- [j1]Daniel Reker, Stefan Katzenbeisser, Kay Hamacher:
Computation of mutual information from Hidden Markov Models. Comput. Biol. Chem. 34(5-6): 328-333 (2010)
Coauthor Index
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