Daniel Reker

According to our database, Daniel Reker authored at least 9 papers between 2010 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Taking a deep dive with active learning for drug discovery.

Zachary Fralish, Daniel Reker

Nat. Comput. Sci., October, 2024

Characterizing emerging companies in computational drug development.

Chloe Markey, Samuel Croset, Olivia Ruth Woolley, Can Martin Buldun, Christian Koch, Daniel Koller, Daniel Reker

Nat. Comput. Sci., 2024

2023

DeepDelta: predicting ADMET improvements of molecular derivatives with deep learning.

Zachary Fralish, Ashley Chen, Paul Skaluba, Daniel Reker

J. Cheminformatics, December, 2023

Interpretable Molecular Property Predictions Using Marginalized Graph Kernels.

Yan Xiang, Yu-Hang Tang, Guang Lin, Daniel Reker

J. Chem. Inf. Model., August, 2023

2021

Combating small molecule aggregation with machine learning.

Kuan Lee, Ann Yang, Yen-Chu Lin, Daniel Reker, Gonçalo J. L. Bernardes, Tiago Rodrigues

CoRR, 2021

2020

Artificial intelligence in chemistry and drug design.

Nathan Brown, Peter Ertl, Richard A. Lewis, Torsten Luksch, Daniel Reker, Nadine Schneider

J. Comput. Aided Mol. Des., 2020

2019

Advanced Editorial to announce a JCAMD Special Issue on Artificial Intelligence and Machine Learning.

Daniel Reker, Richard A. Lewis

J. Comput. Aided Mol. Des., 2019

2014

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

Daniel Reker, Tiago Rodrigues, Petra Schneider, Gisbert Schneider

J. Cheminformatics, 2014

2010

Computation of mutual information from Hidden Markov Models.

Daniel Reker, Stefan Katzenbeisser, Kay Hamacher

Comput. Biol. Chem., 2010