Daniel Reker

Publication Activity (10 Years)

Years Active: 2010-2024
Publications (10 Years): 6

Top Topics

Artificial Intelligence And Machine Learning

Rank Aggregation

Top Venues

J. Cheminformatics

J. Comput. Aided Mol. Des.

J. Chem. Inf. Model.

Publications

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) (2024)
Yan Xiang, Yu-Hang Tang, Guang Lin, Daniel Reker
Interpretable Molecular Property Predictions Using Marginalized Graph Kernels. J. Chem. Inf. Model. 63 (15) (2023)
Zachary Fralish, Ashley Chen, Paul Skaluba, Daniel Reker
DeepDelta: predicting ADMET improvements of molecular derivatives with deep learning. J. Cheminformatics 15 (1) (2023)
Kuan Lee, Ann Yang, Yen-Chu Lin, Daniel Reker, Goncalo J. L. Bernardes, Tiago Rodrigues
Combating small molecule aggregation with machine learning. CoRR (2021)
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) (2020)
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) (2019)
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) (2014)
Daniel Reker, Stefan Katzenbeisser, Kay Hamacher
Computation of mutual information from Hidden Markov Models. Comput. Biol. Chem. 34 (5-6) (2010)