Merk, Daniel

Polypharmacology by Design: A Medicinal Chemist’s Perspective on Multitargeting Compounds

Proschak, E., Stark, H., & Merk, D. (2019) · Journal of Medicinal Chemistry

Computational Drug Discovery MethodsProtein Degradation and Inhibitors

Cited by 498

De Novo Design of Bioactive Small Molecules by Artificial Intelligence

Merk, D., Friedrich, L., Grisoni, F., & Schneider, G. (2018) · Molecular Informatics

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 373

Generative molecular design in low data regimes

Moret, M., Friedrich, L., Grisoni, F., Merk, D., & Schneider, G. (2020) · Nature Machine Intelligence

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 219

Combining generative artificial intelligence and on-chip synthesis for de novo drug design

Grisoni, F., Huisman, B. J. H., Button, A. L., Moret, M., Atz, K., Merk, D., & Schneider, G. (2021) · Science Advances

Computational Drug Discovery MethodsInnovative Microfluidic and Catalytic Techniques Innovation

Cited by 190

Design and structural optimization of dual FXR/PPARδ activators

Schierle, S., Neumann, S., Heitel, P., Willems, S., Kaiser, A., Pollinger, J., & Merk, D. (2020) · Journal of Medicinal Chemistry

Peroxisome Proliferator-Activated ReceptorsComputational Drug Discovery Methods

Cited by 34