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Journal of Cheminformatics
|
January 20, 2025
Matched pairs demonstrate robustness against inter-assay variability
Jochem Nelen, Horacio Pérez-Sánchez, Hans De Winter, et al.
Drug Discovery Today. Technologies
|
January 2, 2021
On failure modes in molecule generation and optimization
Philipp Renz, Dries Van Rompaey, Jörg Kurt Wegner, et al.
Molecular Pharmaceutics
|
March 31, 2023
A Symbolic Regression Model for the Prediction of Drug Binding to Human Liver Microsomes
Dries Van Rompaey, Denise Morrison, An Van Den Bergh, et al.
Scientific Reports
|
December 10, 2017
Virtual screening for inhibitors of the human TSLP:TSLPR interaction
Dries Van Rompaey, Kenneth Verstraete, Frank Peelman, et al.
Scientific Reports
|
April 26, 2018
Author Correction: Virtual screening for inhibitors of the human TSLP:TSLPR interaction
Dries Van Rompaey, Kenneth Verstraete, Frank Peelman, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 13, 2019
Efforts towards an On-Target Version of the Groebke-Blackburn-Bienaymé (GBB) Reaction for Discovery of Druglike Urokinase (uPA) Inhibitors
Rafaela Gladysz, Johannes Vrijdag, Dries Van Rompaey, et al.
Scientific Data
|
July 7, 2024
Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules
Leonardo Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, et al.
Journal of Chemical Information and Modeling
|
October 16, 2025
MolAgent: Biomolecular Property Estimation in the Agentic Era
Jose Carlos Gómez-Tamayo, Joris Tavernier, Roy Aerts, et al.
Journal of Medicinal Chemistry
|
February 14, 2018
Tozasertib Analogues as Inhibitors of Necroptotic Cell Death
Sam Hofmans, Lars Devisscher, Sofie Martens, et al.
Journal of Medicinal Chemistry
|
October 26, 2018
Discovery of Novel, Drug-Like Ferroptosis Inhibitors with in Vivo Efficacy
Lars Devisscher, Samya Van Coillie, Sam Hofmans, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Journal of Cheminformatics
|
January 20, 2025
Matched pairs demonstrate robustness against inter-assay variability
Jochem Nelen, Horacio Pérez-Sánchez, Hans De Winter, et al.
Drug Discovery Today. Technologies
|
January 2, 2021
On failure modes in molecule generation and optimization
Philipp Renz, Dries Van Rompaey, Jörg Kurt Wegner, et al.
Molecular Pharmaceutics
|
March 31, 2023
A Symbolic Regression Model for the Prediction of Drug Binding to Human Liver Microsomes
Dries Van Rompaey, Denise Morrison, An Van Den Bergh, et al.
Scientific Reports
|
December 10, 2017
Virtual screening for inhibitors of the human TSLP:TSLPR interaction
Dries Van Rompaey, Kenneth Verstraete, Frank Peelman, et al.
Scientific Reports
|
April 26, 2018
Author Correction: Virtual screening for inhibitors of the human TSLP:TSLPR interaction
Dries Van Rompaey, Kenneth Verstraete, Frank Peelman, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 13, 2019
Efforts towards an On-Target Version of the Groebke-Blackburn-Bienaymé (GBB) Reaction for Discovery of Druglike Urokinase (uPA) Inhibitors
Rafaela Gladysz, Johannes Vrijdag, Dries Van Rompaey, et al.
Scientific Data
|
July 7, 2024
Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules
Leonardo Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, et al.
Journal of Chemical Information and Modeling
|
October 16, 2025
MolAgent: Biomolecular Property Estimation in the Agentic Era
Jose Carlos Gómez-Tamayo, Joris Tavernier, Roy Aerts, et al.
Journal of Medicinal Chemistry
|
February 14, 2018
Tozasertib Analogues as Inhibitors of Necroptotic Cell Death
Sam Hofmans, Lars Devisscher, Sofie Martens, et al.
Journal of Medicinal Chemistry
|
October 26, 2018
Discovery of Novel, Drug-Like Ferroptosis Inhibitors with in Vivo Efficacy
Lars Devisscher, Samya Van Coillie, Sam Hofmans, et al.
Page
of 2