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Items: 1 to 20 of 68

1.

InChI: connecting and navigating chemistry.

Williams AJ.

J Cheminform. 2012 Dec 13;4(1):33. doi: 10.1186/1758-2946-4-33.

2.

InChI - the worldwide chemical structure identifier standard.

Heller S, McNaught A, Stein S, Tchekhovskoi D, Pletnev I.

J Cheminform. 2013 Jan 24;5(1):7. doi: 10.1186/1758-2946-5-7.

3.

yaInChI: modified InChI string scheme for line notation of chemical structures.

Cho YS, No KT, Cho KH.

SAR QSAR Environ Res. 2012;23(3-4):237-55. doi: 10.1080/1062936X.2012.657677. Epub 2012 Apr 2.

PMID:
22468774
4.

Chemical structure indexing of toxicity data on the internet: moving toward a flat world.

Richard AM, Gold LS, Nicklaus MC.

Curr Opin Drug Discov Devel. 2006 May;9(3):314-25. Review.

PMID:
16729727
5.

InChI: a user's perspective.

Bachrach SM.

J Cheminform. 2012 Dec 13;4(1):34. doi: 10.1186/1758-2946-4-34.

6.

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.

7.

Public chemical compound databases.

Williams AJ.

Curr Opin Drug Discov Devel. 2008 May;11(3):393-404. Review.

PMID:
18428094
8.

A quality alert and call for improved curation of public chemistry databases.

Williams AJ, Ekins S.

Drug Discov Today. 2011 Sep;16(17-18):747-50. doi: 10.1016/j.drudis.2011.07.007. Epub 2011 Jul 30.

PMID:
21871970
9.

Designing drugs on the internet? Free web tools and services supporting medicinal chemistry.

Ertl P, Jelfs S.

Curr Top Med Chem. 2007;7(15):1491-501. Review.

PMID:
17897035
10.

Application of InChI to curate, index, and query 3-D structures.

Prasanna MD, Vondrasek J, Wlodawer A, Bhat TN.

Proteins. 2005 Jul 1;60(1):1-4.

PMID:
15861385
11.

Enhancement of the chemical semantic web through the use of InChI identifiers.

Coles SJ, Day NE, Murray-Rust P, Rzepa HS, Zhang Y.

Org Biomol Chem. 2005 May 21;3(10):1832-4. Epub 2005 Apr 18.

PMID:
15889163
12.

A perspective of publicly accessible/open-access chemistry databases.

Williams AJ.

Drug Discov Today. 2008 Jun;13(11-12):495-501. doi: 10.1016/j.drudis.2008.03.017. Epub 2008 May 15.

PMID:
18549975
13.

Unique identifiers for small molecules enable rigorous labeling of their atoms.

Dashti H, Westler WM, Markley JL, Eghbalnia HR.

Sci Data. 2017 May 23;4:170073. doi: 10.1038/sdata.2017.73.

14.

Chemical databases: curation or integration by user-defined equivalence?

Hersey A, Chambers J, Bellis L, PatrĂ­cia Bento A, Gaulton A, Overington JP.

Drug Discov Today Technol. 2015 Jul;14:17-24. doi: 10.1016/j.ddtec.2015.01.005. Epub 2015 Mar 11. Review.

15.

Charting, navigating, and populating natural product chemical space for drug discovery.

Lachance H, Wetzel S, Kumar K, Waldmann H.

J Med Chem. 2012 Jul 12;55(13):5989-6001. doi: 10.1021/jm300288g. Epub 2012 May 11. Review.

PMID:
22537178
16.

Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers.

Monge A, Arrault A, Marot C, Morin-Allory L.

Mol Divers. 2006 Aug;10(3):389-403. Epub 2006 Sep 21.

PMID:
17031540
17.

InChI, the IUPAC International Chemical Identifier.

Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D.

J Cheminform. 2015 May 30;7:23. doi: 10.1186/s13321-015-0068-4. eCollection 2015.

18.

The Internet as an information source for geriatricians.

Glowniak J.

Drugs Aging. 1997 Mar;10(3):169-73. Review.

PMID:
9108890
19.

Internet and information technology use in treatment of diabetes.

Kaufman N.

Int J Clin Pract Suppl. 2010 Feb;(166):41-6. doi: 10.1111/j.1742-1241.2009.02277.x. Review.

PMID:
20377663
20.

QSAR-modeling of toxicity of organometallic compounds by means of the balance of correlations for InChI-based optimal descriptors.

Toropov AA, Toropova AP, Benfenati E.

Mol Divers. 2010 Feb;14(1):183-92. doi: 10.1007/s11030-009-9156-6. Epub 2009 May 19.

PMID:
19452257

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