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Nature Chemistry|May 25, 2016
Counting on natural products for drug designTiago Rodrigues, Daniel Reker, Petra Schneider, et al.Nature Chemistry|April 17, 2019
Computational advances in combating colloidal aggregation in drug discoveryDaniel Reker, Gonçalo J L Bernardes, Tiago RodriguesJournal of Cheminformatics|October 26, 2023
DeepDelta: predicting ADMET improvements of molecular derivatives with deep learningZachary Fralish, Ashley Chen, Paul Skaluba, et al.Future Medicinal Chemistry|March 7, 2017
Active learning for computational chemogenomicsDaniel Reker, Petra Schneider, Gisbert Schneider, et al.Journal of Chemical Information and Modeling|July 28, 2023
Interpretable Molecular Property Predictions Using Marginalized Graph KernelsYan Xiang, Yu-Hang Tang, Guang Lin, et al.Iscience|April 10, 2026
Profiling biological effects of microbiome metabolites via machine learningHong A Chung, Zachary Fralish, Tiffany Tu, et al.Angewandte Chemie (International Ed. in English)|July 24, 2015
Revealing the Macromolecular Targets of Fragment-Like Natural ProductsTiago Rodrigues, Daniel Reker, Jens Kunze, et al.Planta Medica|February 27, 2015
Chemography of natural product spaceTomoyuki Miyao, Daniel Reker, Petra Schneider, et al.Nature Reviews. Drug Discovery|April 2, 2024
The landscape of small-molecule prodrugsZachary Fralish, Ashley Chen, Shaharyar Khan, et al.Pharmaceutical Research|October 30, 2020
Historical Evolution and Provider Awareness of Inactive Ingredients in Oral MedicationsDaniel Reker, Steven M Blum, Peter Wade, et al.Pageof 6