PubChem Announcements



July 25, 2014
Why contribute your data to PubChem? Maximize the impact of your research. Crosslink your data to key scientific databases. Satisfy data sharing requirements by journals and funding agencies. Flexibility on when your data gets released. Ability to share on-hold data with reviewers and collaborators. To learn more about these, visit the PubChem Blog.
June 26, 2014
Just over 1.4 million structures from Collaborative Drug Discovery (CDD) are now available in PubChem, including almost 94,000 novel structures. These structures have links back to CDD’s public Vault data pages, many of which hold structure-activity data and compound properties, and are accessible through a free login. The announcement from CDD provides additional details.
January 30, 2014
PubChemRDF is released. It allows PubChem data to be used with semantic web technologies and encodes PubChem information using the Resource Description Framework (RDF). PubChemRDF data can be accessed through a REST interface or bulk downloaded from the PubChem FTP site. One benefit of RDF formatted data is the ability to use schema-less databases (such as a triplestore or a graph database) to import, query, and analyze PubChem data locally. Read the PubChem Blog (http://1.usa.gov/1db9Y4T) to learn more.
November 21, 2013
PubChem Upload 1.0f is released! Adding your information to PubChem (https://pubchem.ncbi.nlm.nih.gov/upload/ ) is now easier than ever. The new PubChem Upload system offers streamlined procedures for data submissions and includes an extensive set of wizards, inline help tips, and templates to assist users. Visit the PubChem Blog (http://1.usa.gov/1ayl7ze) to read more about it.
September 3, 2013
The PubChem Social Media campaign is now launched! Follow us on Twitter, Facebook, and Google+ to keep up with the latest PubChem resources and features. Share PubChem pages with your friends and colleagues. Visit the new PubChem blog to read more about it.
April 8, 2013
Structures from UniCarbKB are now available in PubChem. UniCarbKB is an initiative to create an online information storage and search platform for glycomics and glycobiology research. UniCarbKB curates information from the scientific literature on glycoprotein derived glycan structures, building on previous curation efforts by GlycoSuiteDB and continuing the principles of EUROCarbDB to provide an open-access platform for glycoinformatics. This is the first phase in the release of structures from UniCarbKB and the entries will be updated as the UniCarbKB structure database develops.
April 8, 2013
New PubChem Widgets can be used to display a carousel of chemical structures, display the classification of a compound/substance/bioassay of interest, or provide an autocomplete function within your own web page. In addition, features have been added to the table-based widgets (bioactivity, patents, and PubMed), including a share button that allows you to open the widget in a PubChem page or embed the widget in your own page as an iframe, and an option to display graphical filters for subsetting the data (currently available only for the bioactivity widget).
April 5, 2013
A new PubChem Upload system offers streamlined procedures for data submissions and updates to both the PubChem Substance and BioAssay databases! This system is currently in Beta release, but will eventually replace the original Pubchem Deposition Gateway. The new capabilities offered by PubChem Upload include:
April 5, 2013
Pubchem BioAssay DataDicer: a new, efficient search engine for BioAssay outcomes, is now available at http://dd.ncbi.nlm.nih.gov/datadicer/2/. The PubChem DataDicer allows both novice and expert scientists to search and subset the greater than 200 million BioAssay outcomes from the PubChem BioAssay database. Users can query by molecular descriptors, genes, pathways, bioassay categories and other data types, in order to retrieve bioactivity outcomes for genes/proteins that were the targets of bioassays, or for small molecules that were screened in the bioassays. The data are linked to multiple NCBI databases, allowing you to traverse to the associated genes, proteins, chemical structures, and more. Data about outcomes, including small molecules, targets, and pathways can be downloaded to your computer as a comma-separated value (CSV) file.
January 23, 2013
Nearly 300,000 structures from ChemAxon's chemicalize.org database are now available in PubChem, including approximately 62,000 novel structures. All structures have links back to chemicalize.org data pages with predicted data including pKa, logP/D, names and identifiers, and more, all of which can be downloaded as structure data files (SDF). The announcement from ChemAxon provides additional details.
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