Steinbeck C - Search Results

1

BiNChE: a web tool and library for chemical enrichment analysis based on the ChEBI ontology.

Moreno P, Beisken S, Harsha B, Muthukrishnan V, Tudose I, Dekker A, Dornfeldt S, Taruttis F, Grosse I, Hastings J, Neumann S, Steinbeck C. Moreno P, et al. Among authors: steinbeck c. BMC Bioinformatics. 2015 Feb 21;16(1):56. doi: 10.1186/s12859-015-0486-3. BMC Bioinformatics. 2015. PMID: 25879798 Free PMC article.

2

Sherlock-A Free and Open-Source System for the Computer-Assisted Structure Elucidation of Organic Compounds from NMR Data.

Wenk M, Nuzillard JM, Steinbeck C. Wenk M, et al. Among authors: steinbeck c. Molecules. 2023 Feb 2;28(3):1448. doi: 10.3390/molecules28031448. Molecules. 2023. PMID: 36771127 Free PMC article.

3

Building blocks for automated elucidation of metabolites: machine learning methods for NMR prediction.

Kuhn S, Egert B, Neumann S, Steinbeck C. Kuhn S, et al. Among authors: steinbeck c. BMC Bioinformatics. 2008 Sep 25;9:400. doi: 10.1186/1471-2105-9-400. BMC Bioinformatics. 2008. PMID: 18817546 Free PMC article.

4

Chemical Entities of Biological Interest: an update.

de Matos P, Alcántara R, Dekker A, Ennis M, Hastings J, Haug K, Spiteri I, Turner S, Steinbeck C. de Matos P, et al. Among authors: steinbeck c. Nucleic Acids Res. 2010 Jan;38(Database issue):D249-54. doi: 10.1093/nar/gkp886. Epub 2009 Oct 23. Nucleic Acids Res. 2010. PMID: 19854951 Free PMC article.

5

CDK-Taverna: an open workflow environment for cheminformatics.

Kuhn T, Willighagen EL, Zielesny A, Steinbeck C. Kuhn T, et al. Among authors: steinbeck c. BMC Bioinformatics. 2010 Mar 29;11:159. doi: 10.1186/1471-2105-11-159. BMC Bioinformatics. 2010. PMID: 20346188 Free PMC article.

6

The chemical information ontology: provenance and disambiguation for chemical data on the biological semantic web.

Hastings J, Chepelev L, Willighagen E, Adams N, Steinbeck C, Dumontier M. Hastings J, et al. Among authors: steinbeck c. PLoS One. 2011;6(10):e25513. doi: 10.1371/journal.pone.0025513. Epub 2011 Oct 3. PLoS One. 2011. PMID: 21991315 Free PMC article.

7

A database for chemical proteomics: ChEBI.

de Matos P, Adams N, Hastings J, Moreno P, Steinbeck C. de Matos P, et al. Among authors: steinbeck c. Methods Mol Biol. 2012;803:273-96. doi: 10.1007/978-1-61779-364-6_19. Methods Mol Biol. 2012. PMID: 22065232

8

Self-organizing ontology of biochemically relevant small molecules.

Chepelev LL, Hastings J, Ennis M, Steinbeck C, Dumontier M. Chepelev LL, et al. Among authors: steinbeck c. BMC Bioinformatics. 2012 Jan 6;13:3. doi: 10.1186/1471-2105-13-3. BMC Bioinformatics. 2012. PMID: 22221313 Free PMC article.

9

Structure-based classification and ontology in chemistry.

Hastings J, Magka D, Batchelor C, Duan L, Stevens R, Ennis M, Steinbeck C. Hastings J, et al. Among authors: steinbeck c. J Cheminform. 2012 Apr 5;4:8. doi: 10.1186/1758-2946-4-8. J Cheminform. 2012. PMID: 22480202 Free PMC article.

10

Natural product-likeness score revisited: an open-source, open-data implementation.

Jayaseelan KV, Moreno P, Truszkowski A, Ertl P, Steinbeck C. Jayaseelan KV, et al. Among authors: steinbeck c. BMC Bioinformatics. 2012 May 20;13:106. doi: 10.1186/1471-2105-13-106. BMC Bioinformatics. 2012. PMID: 22607271 Free PMC article.

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