Journal of Cheminformatics | Article collections | PubChem3D

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PubChem3D

Collection published: 27 January 2011

Last updated: 20 September 2011

		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 \| 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 \| 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 \| 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 \| 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 \| 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 \| Graphical abstract