PubChem Sketcher statistics

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PubChem Sketcher specifications

Information


Unique identifier OMICS_04957
Name PubChem Sketcher
Interface Web user interface
Restrictions to use None
Computer skills Basic
Stability Stable
Maintained Yes

Documentation


Maintainer


  • person_outline Wolf Ihlenfeldt <>

Additional information


http://www.xemistry.com/

Publication for PubChem Sketcher

PubChem Sketcher in publications

 (4)
PMCID: 5761900
PMID: 29320554
DOI: 10.1371/journal.pone.0191006

[…] chemical information of these phytochemicals was compiled from pubchem database [] and chembl [] databases. structural data of phytochemicals not available in pubchem and chembl was derived using pubchem sketcher v2.4 []. compiled dataset was filtered to remove duplicate entries. human proteins targeted by the phytochemicals were predicted from stitch 5.0 (search tool for interactions […]

PMCID: 5680195
PMID: 29123223
DOI: 10.1038/s41598-017-14754-6

[…] structures were displayed and superposed in chimera. dimensions of space-filled bound inhibitors were measured in chimera. inhibitor structures in fig. and supplementary fig. were displayed using pubchem sketcher v2.4. docking of the kifc1 inhibitor, az82, into the kifc1 α4/α6 cleft was performed using pyrx. prior to docking, az82 (pubchem cid 91885438) was energy minimized using […]

PMCID: 5680715
PMID: 29162966
DOI: 10.6026/97320630013339

[…] of models built by modeller. procheck [] check the stereo-chemical qualities of the model., eleven olanzapine derivatives with known pki were obtained from literature []. derivatives build using pubchem sketcher v2.4 [] and save in smiles format. the 3d structures of known 11 inhibitors were building using corina v3.6. molecular networks gmbh computerchemie maintains corina for general […]

PMCID: 5384183
PMID: 28335380
DOI: 10.3390/antiox6010020

[…] free radical biology (phar-630-01) at georgetown university. we thank dante i. suzuki of bradley hills elementary school for his help in constructing the scheme of chemical structures for using the pubchem sketcher software., kimbell r. duncan and yuichiro j. suzuki conceived and designed the project and wrote the paper., the authors declare no conflicts of interest., abbreviations: αtn, […]


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PubChem Sketcher institution(s)
Xemistry GmbH, Königstein, Germany; National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services, Bethesda, MD, USA
PubChem Sketcher funding source(s)
Supported in part by the Intramural Research Program of the NIH, National Library of Medicine.

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