Journal of Cheminformatics | Article collections | PubChem3D

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PubChem3D

Collection published: 27 January 2011

Last updated: 7 January 2013

		Research article PubChem3D: conformer ensemble accuracy Sunghwan Kim, Evan E Bolton, Stephen H Bryant Journal of Cheminformatics 2013, 5:1 (7 January 2013) Abstract \| Full text \| PDF \| PubMed \| Graphical abstract
		Research article Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis Sunghwan Kim, Evan E Bolton, Stephen H Bryant Journal of Cheminformatics 2012, 4:28 (7 November 2012) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| Editor’s summary \| Graphical abstract In the latest article in the PubChem3D series, the effects of employing multiple diverse conformers per compound on 3D similarity computation are investigated, which may help to build search and analysis tools that exploit 3D molecular similarity between compounds in PubChem
		Software PubChem3D: a new resource for scientists Evan E Bolton, Jie Chen, Sunghwan Kim, Lianyi Han, Siqian He, Wenyao Shi, Vahan Simonyan, Yan Sun, Paul A Thiessen, Jiyao Wang, Bo Yu, Jian Zhang, Stephen H Bryant Journal of Cheminformatics 2011, 3:32 (20 September 2011) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| Editor’s summary \| Graphical abstract The addition of PubChem3D to the existing contents of PubChem is described, with a series of retrospective studies to demonstrate important connections between chemical structures and their biological function that are not obvious using 2-D similarity
		Research article PubChem3D: Biologically relevant 3-D similarity Sunghwan Kim, Evan E Bolton, Stephen H Bryant Journal of Cheminformatics 2011, 3:26 (22 July 2011) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| Graphical abstract
		Research article PubChem3D: Shape compatibility filtering using molecular shape quadrupoles Sunghwan Kim, Evan E Bolton, Stephen H Bryant Journal of Cheminformatics 2011, 3:25 (20 July 2011) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| Graphical abstract
		Research article PubChem3D: Similar conformers Evan E Bolton, Sunghwan Kim, Stephen H Bryant Journal of Cheminformatics 2011, 3:13 (9 May 2011) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| Graphical abstract
		Research article PubChem3D: Diversity of shape Evan E Bolton, Sunghwan Kim, Stephen H Bryant Journal of Cheminformatics 2011, 3:9 (21 March 2011) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| Graphical abstract
		Research article PubChem3D: Conformer generation Evan E Bolton, Sunghwan Kim, Stephen H Bryant Journal of Cheminformatics 2011, 3:4 (27 January 2011) Abstract \| Full text \| PDF \| PubMed \| Cited on BioMed Central \| Graphical abstract