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PubChem

Recommended

General Information

PubChem is organized as three linked databases within the NCBI's Entrez information retrieval system. These are PubChem Substance, PubChem Compound, and PubChem BioAssay. PubChem also provides a fast chemical structure similarity search tool. More information about using each component database may be found using the links in the homepage.

Homepage http://pubchem.ncbi.nlm.nih.gov/

Countries that developed this resource United States

Created in 2004

Taxonomic range

All

Knowledge Domains

Subjects

User-defined Tags

COVID-19

In the following recommendations:

How to cite this record FAIRsharing.org: PubChem; PubChem; DOI: https://doi.org/10.25504/FAIRsharing.qt3w7z; Last edited: April 26, 2021, 12:02 p.m.; Last accessed: Dec 01 2021 4:13 a.m.

This record is maintained by pubchem

Record updated: April 20, 2021, 10:18 a.m. by The FAIRsharing Team.

Show edit history

Edits to 'https://fairsharing.org/FAIRsharing.qt3w7z' by 'The FAIRsharing Team' at 10:18, 20 Apr 2021 (approved):

	'licences' has been modified:
		Before:
			Attribution required||Data
			Open Data Commons (ODC) Public Domain Dedication and Licence (PDDL) 1.0|http://opendatacommons.org/licenses/pddl/1.0/|Data
		After:
			PubChem Attribution required|https://pubchemdocs.ncbi.nlm.nih.gov/citation-guidelines|Data
			Open Data Commons (ODC) Public Domain Dedication and Licence (PDDL) 1.0|http://opendatacommons.org/licenses/pddl/1.0/|Data
			NCBI Data Policies and Disclaimer|http://www.ncbi.nlm.nih.gov/home/about/policies.shtml|Data
		Added:
			PubChem Attribution required|https://pubchemdocs.ncbi.nlm.nih.gov/citation-guidelines|Data
			NCBI Data Policies and Disclaimer|http://www.ncbi.nlm.nih.gov/home/about/policies.shtml|Data
		Removed:
			Attribution required||Data

	'publications' has been modified:
		Before:
			Database resources of the National Center for Biotechnology Information.|Wheeler DL., Barrett T., Benson DA., Bryant SH., Canese K., Chetvernin V., Church DM., DiCuccio M., Edgar R., Federhen S., Geer LY., Kapustin Y., Khovayko O., Landsman D., Lipman DJ., Madden TL., Maglott DR., Ostell J., Miller V., Pruitt KD., Schuler GD., Sequeira E., Sherry ST., Sirotkin K., Souvorov A., Starchenko G., Tatusov RL., Tatusova TA., Wagner L., Yaschenko E., |Nucleic Acids Res.|2007
			PubChem 2019 update: improved access to chemical data.|Kim S,Chen J,Cheng T,Gindulyte A,He J,He S,Li Q,Shoemaker BA,Thiessen PA,Yu B,Zaslavsky L,Zhang J,Bolton EE|Nucleic Acids Res|2018
			PubChem BioAssay: 2017 update.|Wang Y,Bryant SH,Cheng T,Wang J,Gindulyte A,Shoemaker BA,Thiessen PA,He S,Zhang J|Nucleic Acids Res|2016
			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|2013
			PubChem's BioAssay Database.|Wang Y,Xiao J,Suzek TO,Zhang J,Wang J,Zhou Z,Han L,Karapetyan K,Dracheva S,Shoemaker BA,Bolton E,Gindulyte A,Bryant SH|Nucleic Acids Res|2011
			PubChem as a public resource for drug discovery.|Li Q,Cheng T,Wang Y,Bryant SH|Drug Discov Today|2010
			PubChem: a public information system for analyzing bioactivities of small molecules.|Wang Y,Xiao J,Suzek TO,Zhang J,Wang J,Bryant SH|Nucleic Acids Res|2009
		After:
			Database resources of the National Center for Biotechnology Information.|Wheeler DL. et al.|Nucleic Acids Res.|2007
			PubChem 2019 update: improved access to chemical data.|Kim S,Chen J,Cheng T,Gindulyte A,He J,He S,Li Q,Shoemaker BA,Thiessen PA,Yu B,Zaslavsky L,Zhang J,Bolton EE|Nucleic Acids Res|2018
			PubChem BioAssay: 2017 update.|Wang Y,Bryant SH,Cheng T,Wang J,Gindulyte A,Shoemaker BA,Thiessen PA,He S,Zhang J|Nucleic Acids Res|2016
			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|2013
			PubChem's BioAssay Database.|Wang Y,Xiao J,Suzek TO,Zhang J,Wang J,Zhou Z,Han L,Karapetyan K,Dracheva S,Shoemaker BA,Bolton E,Gindulyte A,Bryant SH|Nucleic Acids Res|2011
			PubChem as a public resource for drug discovery.|Li Q,Cheng T,Wang Y,Bryant SH|Drug Discov Today|2010
			PubChem: a public information system for analyzing bioactivities of small molecules.|Wang Y,Xiao J,Suzek TO,Zhang J,Wang J,Bryant SH|Nucleic Acids Res|2009
		Added:
			Database resources of the National Center for Biotechnology Information.|Wheeler DL. et al.|Nucleic Acids Res.|2007
		Removed:
			Database resources of the National Center for Biotechnology Information.|Wheeler DL., Barrett T., Benson DA., Bryant SH., Canese K., Chetvernin V., Church DM., DiCuccio M., Edgar R., Federhen S., Geer LY., Kapustin Y., Khovayko O., Landsman D., Lipman DJ., Madden TL., Maglott DR., Ostell J., Miller V., Pruitt KD., Schuler GD., Sequeira E., Sherry ST., Sirotkin K., Souvorov A., Starchenko G., Tatusov RL., Tatusova TA., Wagner L., Yaschenko E., |Nucleic Acids Res.|2007

	'onto_domains' has been modified:
		Before:
			assay
			protein
			small molecule
			structure
		After:
			Structure
			assay
			protein
			small molecule
			structure
		Added:
			Structure
		Removed:

Edits to 'https://fairsharing.org/FAIRsharing.qt3w7z' by 'The FAIRsharing Team' at 08:49, 27 Apr 2020 (approved):

	'organizations' has been modified:
		Before:
			National Center for Biotechnology Information (NCBI), Rockville, MD, USA|http://www.ncbi.nlm.nih.gov/|Maintains
		After:
			National Center for Biotechnology Information (NCBI), Rockville, MD, USA|http://www.ncbi.nlm.nih.gov/|Maintains
			NLM Intramural Research Program, Rockville, MD, USA|https://www.nlm.nih.gov/research/index.html|Funds
		Added:
			NLM Intramural Research Program, Rockville, MD, USA|https://www.nlm.nih.gov/research/index.html|Funds
		Removed:

	'publications' has been modified:
		Before:
			Database resources of the National Center for Biotechnology Information.|Wheeler DL., Barrett T., Benson DA., Bryant SH., Canese K., Chetvernin V., Church DM., DiCuccio M., Edgar R., Federhen S., Geer LY., Kapustin Y., Khovayko O., Landsman D., Lipman DJ., Madden TL., Maglott DR., Ostell J., Miller V., Pruitt KD., Schuler GD., Sequeira E., Sherry ST., Sirotkin K., Souvorov A., Starchenko G., Tatusov RL., Tatusova TA., Wagner L., Yaschenko E., |Nucleic Acids Res.|2007
		After:
			Database resources of the National Center for Biotechnology Information.|Wheeler DL., Barrett T., Benson DA., Bryant SH., Canese K., Chetvernin V., Church DM., DiCuccio M., Edgar R., Federhen S., Geer LY., Kapustin Y., Khovayko O., Landsman D., Lipman DJ., Madden TL., Maglott DR., Ostell J., Miller V., Pruitt KD., Schuler GD., Sequeira E., Sherry ST., Sirotkin K., Souvorov A., Starchenko G., Tatusov RL., Tatusova TA., Wagner L., Yaschenko E., |Nucleic Acids Res.|2007
			PubChem 2019 update: improved access to chemical data.|Kim S,Chen J,Cheng T,Gindulyte A,He J,He S,Li Q,Shoemaker BA,Thiessen PA,Yu B,Zaslavsky L,Zhang J,Bolton EE|Nucleic Acids Res|2018
			PubChem BioAssay: 2017 update.|Wang Y,Bryant SH,Cheng T,Wang J,Gindulyte A,Shoemaker BA,Thiessen PA,He S,Zhang J|Nucleic Acids Res|2016
			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|2013
			PubChem's BioAssay Database.|Wang Y,Xiao J,Suzek TO,Zhang J,Wang J,Zhou Z,Han L,Karapetyan K,Dracheva S,Shoemaker BA,Bolton E,Gindulyte A,Bryant SH|Nucleic Acids Res|2011
			PubChem as a public resource for drug discovery.|Li Q,Cheng T,Wang Y,Bryant SH|Drug Discov Today|2010
			PubChem: a public information system for analyzing bioactivities of small molecules.|Wang Y,Xiao J,Suzek TO,Zhang J,Wang J,Bryant SH|Nucleic Acids Res|2009
		Added:
			PubChem 2019 update: improved access to chemical data.|Kim S,Chen J,Cheng T,Gindulyte A,He J,He S,Li Q,Shoemaker BA,Thiessen PA,Yu B,Zaslavsky L,Zhang J,Bolton EE|Nucleic Acids Res|2018
			PubChem BioAssay: 2017 update.|Wang Y,Bryant SH,Cheng T,Wang J,Gindulyte A,Shoemaker BA,Thiessen PA,He S,Zhang J|Nucleic Acids Res|2016
			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|2013
			PubChem's BioAssay Database.|Wang Y,Xiao J,Suzek TO,Zhang J,Wang J,Zhou Z,Han L,Karapetyan K,Dracheva S,Shoemaker BA,Bolton E,Gindulyte A,Bryant SH|Nucleic Acids Res|2011
			PubChem as a public resource for drug discovery.|Li Q,Cheng T,Wang Y,Bryant SH|Drug Discov Today|2010
			PubChem: a public information system for analyzing bioactivities of small molecules.|Wang Y,Xiao J,Suzek TO,Zhang J,Wang J,Bryant SH|Nucleic Acids Res|2009
		Removed:

Edits to 'https://fairsharing.org/FAIRsharing.qt3w7z' by 'The FAIRsharing Team' at 08:36, 27 Apr 2020 (approved):

	'user_defined_tags' has been modified:
		Before:
		After:
			COVID-19
		Added:
			COVID-19
		Removed:

	'onto_disciplines' has been modified:
		Before:
			Life Science
		After:
			Epidemiology
			Life Science
			Virology
		Added:
			Epidemiology
			Virology
		Removed:

	'miriam_id' has been modified:
		Before: None
		After:

In Collections

NIH-supported data repositories

Toxicology

Data Citation Implementation

Open Science Prize

COVID-19 Resources

RDA Covid-19 WG Resources

Support

General

help	http://pubchem.ncbi.nlm.nih.gov/help.htm ...

Additional Information

Contact

info@ncbi.nlm.nih.gov

Tools

PubChem3D Viewer	https://pubchem.ncbi.nlm.nih.gov/vw3d/vw3d.cgi	v2.0
PubChem Identifier Exchange Service	https://pubchem.ncbi.nlm.nih.gov/idexchange/idexchange.cgi
PubChem Score Matrix Service	https://pubchem.ncbi.nlm.nih.gov/score_matrix/score_matrix.cgi
PubChem Standardization Service	https://pubchem.ncbi.nlm.nih.gov/standardize/standardize.cgi

Access / Retrieve Data

Conditions of Use

Applies to: Data use

Data Access

Bulk Download	https://pubchem.ncbi.nlm.nih.gov/pc_fetch/pc_fetch.cgi
Bulk Download	https://pubchem.ncbi.nlm.nih.gov/assay/assaydownload.cgi
FTP download	ftp://ftp.ncbi.nlm.nih.gov/pubchem/
Search	https://pubchem.ncbi.nlm.nih.gov/search/search.cgi
Browser	https://pubchem.ncbi.nlm.nih.gov/classification/#hid=1

Publications

Database resources of the National Center for Biotechnology Information.

Wheeler DL. et al.
Nucleic Acids Res. 2007