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Results: 14

1.

QSAR DataBank - an approach for the digital organization and archiving of QSAR model information.

Ruusmann V, Sild S, Maran U.

J Cheminform. 2014 May 14;6:25. doi: 10.1186/1758-2946-6-25. eCollection 2014.

PMID:
24910716
[PubMed]
Free PMC Article
2.

Usage and applications of Semantic Web techniques and technologies to support chemistry research.

Borkum MI, Frey JG.

J Cheminform. 2014 Apr 28;6:18. doi: 10.1186/1758-2946-6-18. eCollection 2014.

PMID:
24855494
[PubMed]
Free PMC Article
3.

Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance.

Frey JG, Bird CL.

Wiley Interdiscip Rev Comput Mol Sci. 2013 Sep;3(5):465-481. Epub 2013 Jan 8.

PMID:
24432050
[PubMed]
Free PMC Article
4.

The ChEMBL bioactivity database: an update.

Bento AP, Gaulton A, Hersey A, Bellis LJ, Chambers J, Davies M, Krüger FA, Light Y, Mak L, McGlinchey S, Nowotka M, Papadatos G, Santos R, Overington JP.

Nucleic Acids Res. 2014 Jan;42(Database issue):D1083-90. doi: 10.1093/nar/gkt1031. Epub 2013 Nov 7.

PMID:
24214965
[PubMed - indexed for MEDLINE]
Free PMC Article
5.

A DNA-based semantic fusion model for remote sensing data.

Sun H, Weng J, Yu G, Massawe RH.

PLoS One. 2013 Oct 8;8(10):e77090. doi: 10.1371/journal.pone.0077090. eCollection 2013.

PMID:
24116207
[PubMed - indexed for MEDLINE]
Free PMC Article
6.

Ontology-Based Querying with Bio2RDF's Linked Open Data.

Callahan A, Cruz-Toledo J, Dumontier M.

J Biomed Semantics. 2013 Apr 15;4 Suppl 1:S1. doi: 10.1186/2041-1480-4-S1-S1. Epub 2013 Apr 15.

PMID:
23735196
[PubMed]
Free PMC Article
7.

The ChEMBL database as linked open data.

Willighagen EL, Waagmeester A, Spjuth O, Ansell P, Williams AJ, Tkachenko V, Hastings J, Chen B, Wild DJ.

J Cheminform. 2013 May 8;5(1):23. doi: 10.1186/1758-2946-5-23.

8.

Applications of the InChI in cheminformatics with the CDK and Bioclipse.

Spjuth O, Berg A, Adams S, Willighagen EL.

J Cheminform. 2013 Mar 13;5(1):14. doi: 10.1186/1758-2946-5-14.

PMID:
23497723
[PubMed]
Free PMC Article
9.

Automated compound classification using a chemical ontology.

Bobach C, Böhme T, Laube U, Püschel A, Weber L.

J Cheminform. 2012 Dec 29;4(1):40. doi: 10.1186/1758-2946-4-40.

PMID:
23273256
[PubMed]
Free PMC Article
10.

Fast rule-based bioactivity prediction using associative classification mining.

Yu P, Wild DJ.

J Cheminform. 2012 Nov 23;4(1):29. doi: 10.1186/1758-2946-4-29.

PMID:
23176548
[PubMed]
Free PMC Article
11.

A survey of quantitative descriptions of molecular structure.

Guha R, Willighagen E.

Curr Top Med Chem. 2012;12(18):1946-56.

PMID:
23110530
[PubMed - indexed for MEDLINE]
Free PMC Article
12.

The Units Ontology: a tool for integrating units of measurement in science.

Gkoutos GV, Schofield PN, Hoehndorf R.

Database (Oxford). 2012 Oct 10;2012:bas033. doi: 10.1093/database/bas033. Print 2012.

PMID:
23060432
[PubMed - indexed for MEDLINE]
Free PMC Article
13.

Why open drug discovery needs four simple rules for licensing data and models.

Williams AJ, Wilbanks J, Ekins S.

PLoS Comput Biol. 2012;8(9):e1002706. doi: 10.1371/journal.pcbi.1002706. Epub 2012 Sep 27.

PMID:
23028298
[PubMed - indexed for MEDLINE]
Free PMC Article
14.

OpenTox predictive toxicology framework: toxicological ontology and semantic media wiki-based OpenToxipedia.

Tcheremenskaia O, Benigni R, Nikolova I, Jeliazkova N, Escher SE, Batke M, Baier T, Poroikov V, Lagunin A, Rautenberg M, Hardy B.

J Biomed Semantics. 2012 Apr 24;3 Suppl 1:S7. doi: 10.1186/2041-1480-3-S1-S7.

PMID:
22541598
[PubMed]
Free PMC Article

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