Lina Humbeck
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Explore the profile of Lina Humbeck including associated specialties, affiliations and a list of published articles.
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10
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73
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Recent Articles
1.
Bruggenthies J, Dittmer J, Martin E, Zingman I, Tabet I, Bronner H, et al.
Int J Mol Sci
. 2024 Nov;
25(22).
PMID: 39596395
Macrophage polarization critically contributes to a multitude of human pathologies. Hence, modulating macrophage polarization is a promising approach with enormous therapeutic potential. Macrophages are characterized by a remarkable functional and...
2.
Walter M, Borghardt J, Humbeck L, Skalic M
Mol Inform
. 2024 Jul;
43(10):e202400079.
PMID: 38973777
ADME (Absorption, Distribution, Metabolism, Excretion) properties are key parameters to judge whether a drug candidate exhibits a desired pharmacokinetic (PK) profile. In this study, we tested multi-task machine learning (ML)...
3.
Heyndrickx W, Mervin L, Morawietz T, Sturm N, Friedrich L, Zalewski A, et al.
J Chem Inf Model
. 2023 Aug;
64(7):2331-2344.
PMID: 37642660
Federated multipartner machine learning has been touted as an appealing and efficient method to increase the effective training data volume and thereby the predictivity of models, particularly when the generation...
4.
Simm J, Humbeck L, Zalewski A, Sturm N, Heyndrickx W, Moreau Y, et al.
J Cheminform
. 2021 Dec;
13(1):96.
PMID: 34876230
With the increase in applications of machine learning methods in drug design and related fields, the challenge of designing sound test sets becomes more and more prominent. The goal of...
5.
Humbeck L, Morawietz T, Sturm N, Zalewski A, Harnqvist S, Heyndrickx W, et al.
Molecules
. 2021 Nov;
26(22).
PMID: 34834051
Machine learning models predicting the bioactivity of chemical compounds belong nowadays to the standard tools of cheminformaticians and computational medicinal chemists. Multi-task and federated learning are promising machine learning approaches...
6.
Humbeck L, Pretzel J, Spitzer S, Koch O
ACS Chem Biol
. 2021 Jun;
16(7):1255-1265.
PMID: 34180651
Knowledge about interrelationships between different proteins is crucial in fundamental research for the elucidation of protein networks and pathways. Furthermore, it is especially critical in chemical biology to identify further...
7.
Jasper J, Humbeck L, Brinkjost T, Koch O
J Cheminform
. 2018 Mar;
10(1):15.
PMID: 29549526
Protein ligand interaction fingerprints are a powerful approach for the analysis and assessment of docking poses to improve docking performance in virtual screening. In this study, a novel interaction fingerprint...
8.
Humbeck L, Weigang S, Schafer T, Mutzel P, Koch O
ChemMedChem
. 2018 Feb;
13(6):532-539.
PMID: 29392860
A common issue during drug design and development is the discovery of novel scaffolds for protein targets. On the one hand the chemical space of purchasable compounds is rather limited;...
9.
Schafer T, Kriege N, Humbeck L, Klein K, Koch O, Mutzel P
J Cheminform
. 2017 Nov;
9(1):28.
PMID: 29086162
The era of big data is influencing the way how rational drug discovery and the development of bioactive molecules is performed and versatile tools are needed to assist in molecular...
10.
Humbeck L, Koch O
ACS Chem Biol
. 2016 Oct;
12(1):23-35.
PMID: 27779378
The ever increasing bioactivity data that are produced nowadays allow exhaustive data mining and knowledge discovery approaches that change chemical biology research. A wealth of chemoinformatics tools, web services, and...