Publications

This is our catalog of recent publications authored by IBM researchers, in collaboration with the global research community. We’re currently adding our back catalog of more than 110,000 publications. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.

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8 results for Daniel Reker

Predicting protein-ligand interactions based on bow-pharmacological space and Bayesian additive regression trees
- - Li Li
  - Ching Chiek Koh
  - et al.
- 2019
- Scientific Reports
Computational advances in combating colloidal aggregation in drug discovery
- - Daniel Reker
  - Gonçalo J.L. Bernardes
  - et al.
- 2019
- Nature Chemistry
Inactive ingredients in oral medications
- - Daniel Reker
  - Steven M. Blum
  - et al.
- 2019
- Science Translational Medicine
Artificial intelligence in chemistry and drug design
- - Nathan Brown
  - Peter Ertl
  - et al.
- 2020
- J. Comput. Aided Mol. Des.
Adaptive Optimization of Chemical Reactions with Minimal Experimental Information
- - Daniel Reker
  - Emily A. Hoyt
  - et al.
- 2020
- Cell Reports Physical Science
Historical Evolution and Provider Awareness of Inactive Ingredients in Oral Medications
- - Daniel Reker
  - Steven M. Blum
  - et al.
- 2020
- Pharmaceutical Research
Machine Learning Uncovers Food- and Excipient-Drug Interactions
- - Daniel Reker
  - Yunhua Shi
  - et al.
- 2020
- Cell Reports
Practical considerations for active machine learning in drug discovery
- - Daniel Reker
- 2019
- Drug Discovery Today: Technologies