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Links from PubMed

Items: 7

1.

Similar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring sets.

Kim S, Bolton EE, Bryant SH.

J Cheminform. 2016 Nov 4;8:62. eCollection 2016 Nov 4.

2.

PubChem Substance and Compound databases.

Kim S, Thiessen PA, Bolton EE, Chen J, Fu G, Gindulyte A, Han L, He J, He S, Shoemaker BA, Wang J, Yu B, Zhang J, Bryant SH.

Nucleic Acids Res. 2016 Jan 4;44(D1):D1202-13. doi: 10.1093/nar/gkv951. Epub 2015 Sep 22.

3.

PubChem structure-activity relationship (SAR) clusters.

Kim S, Han L, Yu B, Hähnke VD, Bolton EE, Bryant SH.

J Cheminform. 2015 Jul 7;7:33. doi: 10.1186/s13321-015-0070-x. eCollection 2015 Jul 7.

4.

PubChem3D: conformer ensemble accuracy.

Kim S, Bolton EE, Bryant SH.

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

5.

Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis.

Kim S, Bolton EE, Bryant SH.

J Cheminform. 2012 Nov 7;4(1):28. doi: 10.1186/1758-2946-4-28.

6.

PubChem3D: a new resource for scientists.

Bolton EE, Chen J, Kim S, Han L, He S, Shi W, Simonyan V, Sun Y, Thiessen PA, Wang J, Yu B, Zhang J, Bryant SH.

J Cheminform. 2011 Sep 20;3(1):32. doi: 10.1186/1758-2946-3-32.

7.

PubChem3D: Biologically relevant 3-D similarity.

Kim S, Bolton EE, Bryant SH.

J Cheminform. 2011 Jul 22;3(1):26. doi: 10.1186/1758-2946-3-26.

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