Dries Van Rompaey
Overview
Explore the profile of Dries Van Rompaey including associated specialties, affiliations and a list of published articles.
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Articles
12
Citations
189
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Recent Articles
1.
Nelen J, Perez-Sanchez H, De Winter H, Van Rompaey D
J Cheminform
. 2025 Jan;
17(1):8.
PMID: 39833966
Machine learning models for chemistry require large datasets, often compiled by combining data from multiple assays. However, combining data without careful curation can introduce significant noise. While absolute values from...
2.
Van Rompaey D, Ray Chaudhuri S, Ahmad M, Cisar J, Van den Bergh A, Ash J, et al.
J Med Chem
. 2024 Dec;
67(24):22282-22290.
PMID: 39666573
Human dose prediction (HDP) is a useful tool for compound optimization in preclinical drug discovery. We describe here our exclusively in silico HDP strategy to triage compound designs for synthesis...
3.
Medrano Sandonas L, Van Rompaey D, Fallani A, Hilfiker M, Hahn D, Perez-Benito L, et al.
Sci Data
. 2024 Jul;
11(1):742.
PMID: 38972891
We here introduce the Aquamarine (AQM) dataset, an extensive quantum-mechanical (QM) dataset that contains the structural and electronic information of 59,783 low-and high-energy conformers of 1,653 molecules with a total...
4.
Kesteleyn B, Herschke F, Darville N, Stoops B, Jacobs T, Jacoby E, et al.
J Med Chem
. 2024 Jun;
67(13):10986-11002.
PMID: 38932487
Respiratory syncytial virus (RSV) is a major cause of hospitalization in infants, the elderly, and immune-compromised patients. While a half-life extended monoclonal antibody and 2 vaccines have recently been approved...
5.
Van Rompaey D, Morrison D, Van den Bergh A, Kurt Wegner J
Mol Pharm
. 2023 Mar;
20(5):2436-2442.
PMID: 37000176
It is common practice in the early drug discovery process to conduct in vitro screening experiments using liver microsomes in order to obtain an initial assessment of test compound metabolic...
6.
Renz P, Van Rompaey D, Wegner J, Hochreiter S, Klambauer G
Drug Discov Today Technol
. 2021 Jan;
32-33:55-63.
PMID: 33386095
There has been a wave of generative models for molecules triggered by advances in the field of Deep Learning. These generative models are often used to optimize chemical compounds towards...
7.
de Decker A, Vliegen G, Van Rompaey D, Peeraer A, Bracke A, Verckist L, et al.
ACS Med Chem Lett
. 2019 Aug;
10(8):1173-1179.
PMID: 31413802
Fibroblast activation protein (FAP) is a proline-selective serine protease. It is hardly expressed in healthy adult tissue but upregulated in tissue remodeling sites associated with several diseases including epithelial cancer...
8.
Gladysz R, Vrijdag J, Van Rompaey D, Lambeir A, Augustyns K, De Winter H, et al.
Chemistry
. 2019 Jul;
25(53):12380-12393.
PMID: 31298443
Target-guided synthesis (TGS) has emerged as a promising strategy in drug discovery. Although reported examples of TGS generally involve two-component reactions, there is a strong case for developing target-guided versions...
9.
Devisscher L, Van Coillie S, Hofmans S, Van Rompaey D, Goossens K, Meul E, et al.
J Med Chem
. 2018 Oct;
61(22):10126-10140.
PMID: 30354101
Ferroptosis is an iron-catalyzed, nonapoptotic form of regulated necrosis that results in oxidative lipid damage in cell membranes that can be inhibited by the radical-trapping antioxidant Ferrostatin-1 (Fer-1). Novel inhibitors...
10.
Van Rompaey D, Verstraete K, Peelman F, Savvides S, Augustyns K, Van der Veken P, et al.
Sci Rep
. 2018 Apr;
8(1):6673.
PMID: 29691449
A correction to this article has been published and is linked from the HTML and PDF versions of this paper. The error has been fixed in the paper.