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Journal of Chemical Information and Modeling
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July 17, 2025
Explainable Graph Neural Networks in Chemistry: Combining Attribution and Uncertainty Quantification
Leonid Komissarov, Nenad Manevski, Katrin Groebke Zbinden, et al.
Molecular Pharmaceutics
|
August 12, 2024
Actionable Predictions of Human Pharmacokinetics at the Drug Design Stage
Leonid Komissarov, Nenad Manevski, Katrin Groebke Zbinden, et al.
Journal of Chemical Information and Modeling
|
January 3, 2023
Computational Predictions of Nonclinical Pharmacokinetics at the Drug Design Stage
Raya Stoyanova, Paul Maximilian Katzberger, Leonid Komissarov, et al.
Bioorganic & Medicinal Chemistry Letters
|
January 25, 2005
Design of selective phenylglycine amide tissue factor/factor VIIa inhibitors
Katrin Groebke Zbinden, David W Banner, Jean Ackermann, et al.
Bioorganic & Medicinal Chemistry
|
April 20, 2006
Dose-dependent antithrombotic activity of an orally active tissue factor/factor VIIa inhibitor without concomitant enhancement of bleeding propensity
Katrin Groebke Zbinden, David W Banner, Kurt Hilpert, et al.
ACS Medicinal Chemistry Letters
|
March 18, 2016
Discovery and Characterization of 2-Aminooxazolines as Highly Potent, Selective, and Orally Active TAAR1 Agonists
Guido Galley, Angélica Beurier, Guillaume Décoret, et al.
Bioorganic & Medicinal Chemistry Letters
|
July 24, 2010
Discovery of a factor Xa inhibitor (3R,4R)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide] 4-[[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide] as a clinical candidate
Lilli Anselm, David W Banner, Jörg Benz, et al.
European Journal of Medicinal Chemistry
|
February 10, 2009
Design of novel aminopyrrolidine factor Xa inhibitors from a screening hit
Katrin Groebke Zbinden, Lilli Anselm, David W Banner, et al.
Bioorganic & Medicinal Chemistry Letters
|
October 11, 2005
Selective and orally bioavailable phenylglycine tissue factor/factor VIIa inhibitors
Katrin Groebke Zbinden, Ulrike Obst-Sander, Kurt Hilpert, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 29, 2011
TAAR1 activation modulates monoaminergic neurotransmission, preventing hyperdopaminergic and hypoglutamatergic activity
Florent G Revel, Jean-Luc Moreau, Raul R Gainetdinov, et al.
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Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
July 17, 2025
Explainable Graph Neural Networks in Chemistry: Combining Attribution and Uncertainty Quantification
Leonid Komissarov, Nenad Manevski, Katrin Groebke Zbinden, et al.
Molecular Pharmaceutics
|
August 12, 2024
Actionable Predictions of Human Pharmacokinetics at the Drug Design Stage
Leonid Komissarov, Nenad Manevski, Katrin Groebke Zbinden, et al.
Journal of Chemical Information and Modeling
|
January 3, 2023
Computational Predictions of Nonclinical Pharmacokinetics at the Drug Design Stage
Raya Stoyanova, Paul Maximilian Katzberger, Leonid Komissarov, et al.
Bioorganic & Medicinal Chemistry Letters
|
January 25, 2005
Design of selective phenylglycine amide tissue factor/factor VIIa inhibitors
Katrin Groebke Zbinden, David W Banner, Jean Ackermann, et al.
Bioorganic & Medicinal Chemistry
|
April 20, 2006
Dose-dependent antithrombotic activity of an orally active tissue factor/factor VIIa inhibitor without concomitant enhancement of bleeding propensity
Katrin Groebke Zbinden, David W Banner, Kurt Hilpert, et al.
ACS Medicinal Chemistry Letters
|
March 18, 2016
Discovery and Characterization of 2-Aminooxazolines as Highly Potent, Selective, and Orally Active TAAR1 Agonists
Guido Galley, Angélica Beurier, Guillaume Décoret, et al.
Bioorganic & Medicinal Chemistry Letters
|
July 24, 2010
Discovery of a factor Xa inhibitor (3R,4R)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide] 4-[[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide] as a clinical candidate
Lilli Anselm, David W Banner, Jörg Benz, et al.
European Journal of Medicinal Chemistry
|
February 10, 2009
Design of novel aminopyrrolidine factor Xa inhibitors from a screening hit
Katrin Groebke Zbinden, Lilli Anselm, David W Banner, et al.
Bioorganic & Medicinal Chemistry Letters
|
October 11, 2005
Selective and orally bioavailable phenylglycine tissue factor/factor VIIa inhibitors
Katrin Groebke Zbinden, Ulrike Obst-Sander, Kurt Hilpert, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 29, 2011
TAAR1 activation modulates monoaminergic neurotransmission, preventing hyperdopaminergic and hypoglutamatergic activity
Florent G Revel, Jean-Luc Moreau, Raul R Gainetdinov, et al.
Page
of 2