Christoph Steinbeck
Overview
Explore the profile of Christoph Steinbeck including associated specialties, affiliations and a list of published articles.
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Articles
135
Citations
5386
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Recent Articles
11.
Rajan K, Brinkhaus H, Agea M, Zielesny A, Steinbeck C
Nat Commun
. 2023 Sep;
14(1):6034.
PMID: 37758729
No abstract available.
12.
Rajan K, Brinkhaus H, Agea M, Zielesny A, Steinbeck C
Nat Commun
. 2023 Aug;
14(1):5045.
PMID: 37598180
The number of publications describing chemical structures has increased steadily over the last decades. However, the majority of published chemical information is currently not available in machine-readable form in public...
13.
Zulfiqar M, Gadelha L, Steinbeck C, Sorokina M, Peters K
J Cheminform
. 2023 Mar;
15(1):32.
PMID: 36871033
Mapping the chemical space of compounds to chemical structures remains a challenge in metabolomics. Despite the advancements in untargeted liquid chromatography-mass spectrometry (LC-MS) to achieve a high-throughput profile of metabolites...
14.
Brinkhaus H, Rajan K, Schaub J, Zielesny A, Steinbeck C
Curr Opin Struct Biol
. 2023 Feb;
79:102542.
PMID: 36805192
Recent years have seen a sharp increase in the development of deep learning and artificial intelligence-based molecular informatics. There has been a growing interest in applying deep learning to several...
15.
Bansch F, Steinbeck C, Zielesny A
J Cheminform
. 2023 Feb;
15(1):23.
PMID: 36803857
The influence of molecular fragmentation and parameter settings on a mesoscopic dissipative particle dynamics (DPD) simulation of lamellar bilayer formation for a CE/water mixture is studied. A "bottom-up" decomposition of...
16.
Wenk M, Nuzillard J, Steinbeck C
Molecules
. 2023 Feb;
28(3).
PMID: 36771127
The structure elucidation of small organic molecules (<1500 Dalton) through 1D and 2D nuclear magnetic resonance (NMR) data analysis is a potentially challenging, combinatorial problem. This publication presents Sherlock, a...
17.
Bansch F, Schaub J, Sevindik B, Behr S, Zander J, Steinbeck C, et al.
J Cheminform
. 2023 Jan;
15(1):1.
PMID: 36593523
Developing and implementing computational algorithms for the extraction of specific substructures from molecular graphs (in silico molecule fragmentation) is an iterative process. It involves repeated sequences of implementing a rule...
18.
Lai A, Schaub J, Steinbeck C, Schymanski E
J Cheminform
. 2022 Dec;
14(1):85.
PMID: 36510332
Homologous series are groups of related compounds that share the same core structure attached to a motif that repeats to different degrees. Compounds forming homologous series are of interest in...
19.
Schaub J, Zander J, Zielesny A, Steinbeck C
J Cheminform
. 2022 Nov;
14(1):79.
PMID: 36357931
The concept of molecular scaffolds as defining core structures of organic molecules is utilised in many areas of chemistry and cheminformatics, e.g. drug design, chemical classification, or the analysis of...
20.
Herres-Pawlis S, Bach F, Bruno I, Chalk S, Jung N, Liermann J, et al.
Angew Chem Int Ed Engl
. 2022 Nov;
61(51):e202203038.
PMID: 36347644
Research data management (RDM) is needed to assist experimental advances and data collection in the chemical sciences. Many funders require RDM because experiments are often paid for by taxpayers and...