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Results: 1 to 20 of 32

1.

Chemical Entity Semantic Specification: Knowledge representation for efficient semantic cheminformatics and facile data integration.

Chepelev LL, Dumontier M.

J Cheminform. 2011 May 19;3(1):20. doi: 10.1186/1758-2946-3-20.

PMID:
21595881
[PubMed]
Free PMC Article
2.

Linked open drug data for pharmaceutical research and development.

Samwald M, Jentzsch A, Bouton C, Kallesøe CS, Willighagen E, Hajagos J, Marshall MS, Prud'hommeaux E, Hassenzadeh O, Pichler E, Stephens S.

J Cheminform. 2011 May 16;3(1):19. doi: 10.1186/1758-2946-3-19.

PMID:
21575203
[PubMed]
Free PMC Article
3.

Linking the Resource Description Framework to cheminformatics and proteochemometrics.

Willighagen EL, Alvarsson J, Andersson A, Eklund M, Lampa S, Lapins M, Spjuth O, Wikberg JE.

J Biomed Semantics. 2011 Mar 7;2 Suppl 1:S6. doi: 10.1186/2041-1480-2-S1-S6.

PMID:
21388575
[PubMed]
Free PMC Article
4.

Quantitative correlation of physical and chemical properties with chemical structure: utility for prediction.

Katritzky AR, Kuanar M, Slavov S, Hall CD, Karelson M, Kahn I, Dobchev DA.

Chem Rev. 2010 Oct 13;110(10):5714-89. doi: 10.1021/cr900238d. Review. No abstract available.

PMID:
20731377
[PubMed - indexed for MEDLINE]
5.

Modeling biomedical experimental processes with OBI.

Brinkman RR, Courtot M, Derom D, Fostel JM, He Y, Lord P, Malone J, Parkinson H, Peters B, Rocca-Serra P, Ruttenberg A, Sansone SA, Soldatova LN, Stoeckert CJ Jr, Turner JA, Zheng J; OBI consortium.

J Biomed Semantics. 2010 Jun 22;1 Suppl 1:S7. doi: 10.1186/2041-1480-1-S1-S7.

PMID:
20626927
[PubMed]
Free PMC Article
6.

Towards interoperable and reproducible QSAR analyses: Exchange of datasets.

Spjuth O, Willighagen EL, Guha R, Eklund M, Wikberg JE.

J Cheminform. 2010 Jun 30;2(1):5. doi: 10.1186/1758-2946-2-5.

PMID:
20591161
[PubMed]
Free PMC Article
7.

Chem2Bio2RDF: a semantic framework for linking and data mining chemogenomic and systems chemical biology data.

Chen B, Dong X, Jiao D, Wang H, Zhu Q, Ding Y, Wild DJ.

BMC Bioinformatics. 2010 May 17;11:255. doi: 10.1186/1471-2105-11-255.

PMID:
20478034
[PubMed - indexed for MEDLINE]
Free PMC Article
8.

Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods.

Reynès C, Host H, Camproux AC, Laconde G, Leroux F, Mazars A, Deprez B, Fahraeus R, Villoutreix BO, Sperandio O.

PLoS Comput Biol. 2010 Mar 5;6(3):e1000695. doi: 10.1371/journal.pcbi.1000695.

PMID:
20221258
[PubMed - indexed for MEDLINE]
Free PMC Article
9.

Putting biomedical ontologies to work.

Smith B, Brochhausen M.

Methods Inf Med. 2010;49(2):135-40. doi: 10.3414/ME9302. Epub 2010 Feb 5.

PMID:
20135080
[PubMed - indexed for MEDLINE]
Free PMC Article
10.

Challenges predicting ligand-receptor interactions of promiscuous proteins: the nuclear receptor PXR.

Ekins S, Kortagere S, Iyer M, Reschly EJ, Lill MA, Redinbo MR, Krasowski MD.

PLoS Comput Biol. 2009 Dec;5(12):e1000594. doi: 10.1371/journal.pcbi.1000594. Epub 2009 Dec 11.

PMID:
20011107
[PubMed - indexed for MEDLINE]
Free PMC Article
11.

Bioclipse 2: a scriptable integration platform for the life sciences.

Spjuth O, Alvarsson J, Berg A, Eklund M, Kuhn S, Mäsak C, Torrance G, Wagener J, Willighagen EL, Steinbeck C, Wikberg JE.

BMC Bioinformatics. 2009 Dec 3;10:397. doi: 10.1186/1471-2105-10-397.

PMID:
19958528
[PubMed - indexed for MEDLINE]
Free PMC Article
12.

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.

Nucleic Acids Res. 2010 Jan;38(Database issue):D249-54. doi: 10.1093/nar/gkp886. Epub 2009 Oct 23.

PMID:
19854951
[PubMed - indexed for MEDLINE]
Free PMC Article
13.

How large is the metabolome? A critical analysis of data exchange practices in chemistry.

Kind T, Scholz M, Fiehn O.

PLoS One. 2009;4(5):e5440. doi: 10.1371/journal.pone.0005440. Epub 2009 May 5.

PMID:
19415114
[PubMed - indexed for MEDLINE]
Free PMC Article
14.

ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI). Interview by Wendy A. Warr.

Overington J.

J Comput Aided Mol Des. 2009 Apr;23(4):195-8. doi: 10.1007/s10822-009-9260-9. Epub 2009 Feb 5. No abstract available.

PMID:
19194660
[PubMed - indexed for MEDLINE]
15.

Evolutionarily conserved substrate substructures for automated annotation of enzyme superfamilies.

Chiang RA, Sali A, Babbitt PC.

PLoS Comput Biol. 2008 Aug 1;4(8):e1000142. doi: 10.1371/journal.pcbi.1000142.

PMID:
18670595
[PubMed - indexed for MEDLINE]
Free PMC Article
16.

Bio2RDF: towards a mashup to build bioinformatics knowledge systems.

Belleau F, Nolin MA, Tourigny N, Rigault P, Morissette J.

J Biomed Inform. 2008 Oct;41(5):706-16. doi: 10.1016/j.jbi.2008.03.004. Epub 2008 Mar 21.

PMID:
18472304
[PubMed - indexed for MEDLINE]
Free Article
17.

The OBO Foundry: coordinated evolution of ontologies to support biomedical data integration.

Smith B, Ashburner M, Rosse C, Bard J, Bug W, Ceusters W, Goldberg LJ, Eilbeck K, Ireland A, Mungall CJ; OBI Consortium, Leontis N, Rocca-Serra P, Ruttenberg A, Sansone SA, Scheuermann RH, Shah N, Whetzel PL, Lewis S.

Nat Biotechnol. 2007 Nov;25(11):1251-5.

PMID:
17989687
[PubMed - indexed for MEDLINE]
Free PMC Article
18.

Carbon-fate maps for metabolic reactions.

Mu F, Williams RF, Unkefer CJ, Unkefer PJ, Faeder JR, Hlavacek WS.

Bioinformatics. 2007 Dec 1;23(23):3193-9. Epub 2007 Oct 12.

PMID:
17933853
[PubMed - indexed for MEDLINE]
Free Article
19.

Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry.

Kind T, Fiehn O.

BMC Bioinformatics. 2007 Mar 27;8:105.

PMID:
17389044
[PubMed - indexed for MEDLINE]
Free PMC Article
20.

A look inside HIV resistance through retroviral protease interaction maps.

Kontijevskis A, Prusis P, Petrovska R, Yahorava S, Mutulis F, Mutule I, Komorowski J, Wikberg JE.

PLoS Comput Biol. 2007 Mar 9;3(3):e48. Epub 2007 Jan 24.

PMID:
17352531
[PubMed - indexed for MEDLINE]
Free PMC Article

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