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Ensemble completeness in conformer sampling: the case of small macrocycles.
J Cheminform. 2021 Jul 29;13(1):55. doi: 10.1186/s13321-021-00524-0.
J Cheminform. 2021.
PMID: 34325738
Free PMC article.
Modeling and Simulation of Process Technology for Nanoparticulate Drug Formulations-A Particle Technology Perspective.
Uhlemann J, Diedam H, Hoheisel W, Schikarski T, Peukert W.
Uhlemann J, et al. Among authors: diedam h.
Pharmaceutics. 2020 Dec 24;13(1):22. doi: 10.3390/pharmaceutics13010022.
Pharmaceutics. 2020.
PMID: 33374375
Free PMC article.
Review.
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Prediction of human pharmacokinetics from chemical structure: combining mechanistic modeling with machine learning.
Gruber A, Führer F, Menz S, Diedam H, Göller AH, Schneckener S.
Gruber A, et al. Among authors: diedam h.
J Pharm Sci. 2023 Oct 28:S0022-3549(23)00466-5. doi: 10.1016/j.xphs.2023.10.035. Online ahead of print.
J Pharm Sci. 2023.
PMID: 39492474
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A deep neural network: mechanistic hybrid model to predict pharmacokinetics in rat.
Führer F, Gruber A, Diedam H, Göller AH, Menz S, Schneckener S.
Führer F, et al. Among authors: diedam h.
J Comput Aided Mol Des. 2024 Jan 31;38(1):7. doi: 10.1007/s10822-023-00547-9.
J Comput Aided Mol Des. 2024.
PMID: 38294570
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