May 5th 2007 New Blog for Interactive Discussions with Our Users

A new blog has been set up to allow us to interact with you, the ChemSpider user community. Previously we have posted our New Release features on this page but now we introduce ChemSpider News. ChemSpider News will be about the nitty-gritty of changes to the functions and capabilities, operating environment and questions for you to help provide guidance about how you would like to see ChemSpider work. This will even be down to the level of how you might want to see a particular function enabled as well as testing features at the alpha and beta release stages.

We encourage your participation…no question is too small, criticism will be assumed to be constructive. Please help us make ChemSpider the service that you would like it to be!

April 30th 2007: UsefulChem Molecules Added to ChemSpider

The UsefulChem Molecules collection generated as a resulted of the work done as part of the Useful Chemistry Project have been posted to ChemSpider. This project is run by Dr JC Bradley, one of the members of the ChemSpider advisory group.The structures associated with this growing collection will continue to be added to ChemSpider oon an ongoing basis. We thank JC for his support of the ChemSpider Index.

April 28th 2007: ChemSpider is linked to Wikipedia

ChemSpider has been linked to Wikipedia via synonym connectivities. In the Details View all names linked to WIkipedia are clearly highlighted. Selection of the name opens the appropriate Wikipedia page.

April 25th 2007: The Ability to Curate Data is Added to ChemSpider

ChemSpider serves the role of aggregating data from a number of sources. At present the index includes over 10 million chemical structures and, by default, is likely to contain many errors. It is not possible for the ChemSpider team to review the data at the level necessary to perform optimal curation of the data. In order to facilitate curation of the data the ability to "Help Curate Data" has been introduced. At each record level a ChemSpider user can add comments and feedback to the record in order to allow a curation committee to approve the feedback and act to improve the database. An example of a record containing errors is shown . A list of curated records is available for review online.

April 18th 2007: NMRSHIFTDB Data is indexed on ChemSpider

NMRSHIFTDB is a web-based NMR database of organic structures and their nuclear magnetic resonance spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. It features peer-reviewed submission of datasets by its users. The NMRSHIFTDB software is open source, the data is published under an open content license. The data have been published on ChemSpider, with permission from Christoph Steinbeck, the host of NMRSHIFTDB. Almost 20,000 structures have been indexed on ChemSpider.

April 16th 2007: Marinlit Data is indexed on ChemSpider

Marinlit is a database of the marine natural products literature containing ~18,000 structures derived from ~3,300 species from ~2,000 genera from 23 phyla. Since these structures are derived from marine natural products they exhibit significant structural diversity as shown below for the structure of Brevetoxin-C. Details regarding Marinlit are available here.

April 15th 2007: ChemSpider Add-ins made available for Firefox and Internet Explorer                                                 

The ChemSpider text-based searches have been made available as add-ins for both Internet Explorer and Firefox. Since the ChemSpider text search allows searching based on Systematic Name, Synonym, Trade Name, SMILES string or InChI string ease of use has been facilitated for ChemSpider users by allowing Firefox and Internet Explorer uers to embed an add-in directly into the browser interface. More...

April 11th 2007: ACD/Labs adds database content to ChemSpider Database

ACD/Labs has contributed the chemical structures associated with a series of their products to the ChemSpider Index. Specifically, the chemical structures from their NMR databases (Proton NMR, Carbon-13 NMR, Nitrogen-15 NMR, Fluorine-19 NMR and Phosphorus-31 NMR) and their PhysChem databases (LogP, pKa, Solubility and boiling point). Now, when a search is performed on ChemSpider one or more links are displayed showing the link back to the ACD/Labs databases.

April 4th 2007: ChemSpider Releases Ability to Search the ChemSpider Database by Synonyms

Today ChemSpider (www.chemspider.com) released the ability to search their database of over 10.5 million compounds by synonyms. Over 9 million synonyms, trivial names, trade names and database numbers (including EINECS codes, EPA pesticide codes and CHEBI codes) were connected to the ChemSpider database to allow searching. The synonym search can be accessed at the Search page. ChemSpider remains in beta release.

March 30th 2007: ACD/ChemSketch is Integrated to ChemSpider for Structure/Substructure Searching and Property Predictions

ACD/ChemSketch, both commercial and freeware, has been integrated to ChemSpider to allow access to both structure and substructure searching as well as access to the property prediction services. ACD/ChemSketch freeware has been downloaded by over 750,000 users and now all have access to ChemSpider via ChemSketch. Details regarding integration are available in a ChemSpider Technical Note and the websearch addon can be downloaded from ACD/Labs website.

March 29th 2007: ChemSpider Beta Release of Chemical Structure and Substructure Searching Made Available to the Public

RALEIGH, NORTH CAROLINA -- March 29th, 2007 -- Today ChemSpider (www.chemspider.com), with chemical structure and substructure searching was made available to the public. ChemSpider is an online resource for chemists to search, aggregate and data mine publicly available chemical data. Over 10.5 million compounds have been indexed in the ChemSpider database.

March 24th 2007: ChemZoo Announce the Release of the ChemSpider Service

RALEIGH, NORTH CAROLINA -- March 24th, 2007 -- ChemZoo, Inc. today announced the launch of their ChemSpider Service (www.chemspider.com), an online resource for chemists to search, aggregate and data mine publicly available chemical data. At time of release over 10 million compounds are indexed in the ChemSpider database including the PubChem collection and data provided by a number of other collaborators. ChemSpider has produced a value-added offering of the publicly available chemical structure databases by adding additional predicted property information generated as a result of their collaborations with property prediction software providers including Advanced Chemistry Development, ACD/Labs. By delivering access to an aggregated database collection of over 10 million structures as well as access to transaction based predictions of systematic identifiers and physicochemical predictions ChemSpider hopes to position itself as one of the premier open access websites for chemists to access information. At the time of beta release structure and substructure searching are not available but should be released within the next few days. The beta release was timed to coincide with the Spring ACS meeting.

March 24th 2007: David Bradley and ChemSpider collaborate to release the Spinneret Webzine

RALEIGH, NORTH CAROLINA -- March 24th, 2007 -- The Spinneret is the spider’s silk-making organ on which its ability to weave its web hinges. The Spinneret webzine presented by science writer David Bradley and the ChemSpider team, will weave a web of chemistry news, bringing new insights into the fascinating molecular world.