Predicting protein-ligand interactions based on bow-pharmacological space and Bayesian additive regression trees
- Li Li
- Ching Chiek Koh
- et al.
- 2019
- Scientific Reports
Publications
Date
Featured collections
Popular topics
8 results for Daniel Reker
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