Format
Sort by

Send to

Choose Destination

Search results

Items: 1 to 20 of 197

1.

Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem.

Hao M, Bryant SH, Wang Y.

J Cheminform. 2016 Jul 8;8:37. doi: 10.1186/s13321-016-0150-6. eCollection 2016.

2.

Literature information in PubChem: associations between PubChem records and scientific articles.

Kim S, Thiessen PA, Cheng T, Yu B, Shoemaker BA, Wang J, Bolton EE, Wang Y, Bryant SH.

J Cheminform. 2016 Jun 10;8:32. doi: 10.1186/s13321-016-0142-6. eCollection 2016.

3.

Structural insights of a PI3K/mTOR dual inhibitor with the morpholino-triazine scaffold.

Takeda T, Wang Y, Bryant SH.

J Comput Aided Mol Des. 2016 Apr;30(4):323-30. doi: 10.1007/s10822-016-9905-4. Epub 2016 Mar 8.

4.

Improved prediction of drug-target interactions using regularized least squares integrating with kernel fusion technique.

Hao M, Wang Y, Bryant SH.

Anal Chim Acta. 2016 Feb 25;909:41-50. doi: 10.1016/j.aca.2016.01.014. Epub 2016 Jan 14.

PMID:
26851083
5.

Target enhanced 2D similarity search by using explicit biological activity annotations and profiles.

Yu X, Geer LY, Han L, Bryant SH.

J Cheminform. 2015 Nov 17;7:55. doi: 10.1186/s13321-015-0103-5. eCollection 2015.

6.

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.

7.

PubChem atom environments.

Hähnke VD, Bolton EE, Bryant SH.

J Cheminform. 2015 Aug 19;7:41. doi: 10.1186/s13321-015-0076-4. eCollection 2015.

8.

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.

9.

PUG-SOAP and PUG-REST: web services for programmatic access to chemical information in PubChem.

Kim S, Thiessen PA, Bolton EE, Bryant SH.

Nucleic Acids Res. 2015 Jul 1;43(W1):W605-11. doi: 10.1093/nar/gkv396. Epub 2015 Apr 30.

10.

CDD: NCBI's conserved domain database.

Marchler-Bauer A, Derbyshire MK, Gonzales NR, Lu S, Chitsaz F, Geer LY, Geer RC, He J, Gwadz M, Hurwitz DI, Lanczycki CJ, Lu F, Marchler GH, Song JS, Thanki N, Wang Z, Yamashita RA, Zhang D, Zheng C, Bryant SH.

Nucleic Acids Res. 2015 Jan;43(Database issue):D222-6. doi: 10.1093/nar/gku1221. Epub 2014 Nov 20.

11.

PubChem applications in drug discovery: a bibliometric analysis.

Cheng T, Pan Y, Hao M, Wang Y, Bryant SH.

Drug Discov Today. 2014 Nov;19(11):1751-6. doi: 10.1016/j.drudis.2014.08.008. Epub 2014 Aug 27. Review.

12.

Pathway analysis for drug repositioning based on public database mining.

Pan Y, Cheng T, Wang Y, Bryant SH.

J Chem Inf Model. 2014 Feb 24;54(2):407-18. doi: 10.1021/ci4005354. Epub 2014 Feb 5.

13.

An efficient algorithm coupled with synthetic minority over-sampling technique to classify imbalanced PubChem BioAssay data.

Hao M, Wang Y, Bryant SH.

Anal Chim Acta. 2014 Jan 2;806:117-27. doi: 10.1016/j.aca.2013.10.050. Epub 2013 Nov 6.

14.

MMDB and VAST+: tracking structural similarities between macromolecular complexes.

Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH.

Nucleic Acids Res. 2014 Jan;42(Database issue):D297-303. doi: 10.1093/nar/gkt1208. Epub 2013 Dec 6.

15.

PubChem BioAssay: 2014 update.

Wang Y, Suzek T, Zhang J, Wang J, He S, Cheng T, Shoemaker BA, Gindulyte A, Bryant SH.

Nucleic Acids Res. 2014 Jan;42(Database issue):D1075-82. doi: 10.1093/nar/gkt978. Epub 2013 Nov 5.

16.

Characterizing protein domain associations by Small-molecule ligand binding.

Li Q, Cheng T, Wang Y, Bryant SH.

J Proteome Sci Comput Biol. 2012 Dec 3;1. pii: 6.

17.
18.

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.

19.

CDD: conserved domains and protein three-dimensional structure.

Marchler-Bauer A, Zheng C, Chitsaz F, Derbyshire MK, Geer LY, Geer RC, Gonzales NR, Gwadz M, Hurwitz DI, Lanczycki CJ, Lu F, Lu S, Marchler GH, Song JS, Thanki N, Yamashita RA, Zhang D, Bryant SH.

Nucleic Acids Res. 2013 Jan;41(Database issue):D348-52. doi: 10.1093/nar/gks1243. Epub 2012 Nov 28.

20.

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.

Items per page

Supplemental Content

Loading ...
Write to the Help Desk