Technical Notes

ChemSpider is not intended to be just a portal to a structure searchable database. Rather ChemSpider is expected to answer questions, solve problems for users and offer the opportunity to create solutions from the abundance of data and services available via ChemSpider. We will be working with a series of partners and collaborators to demonstrate specific applications of ChemSpider. Over the next few months we will be creating a series of Technical Notes reviewing the usage of ChemSpider. These documents will include general tutorials and step-by-step instructions on how to apply ChemSpider to certain problems.

If you have a concept or success story that you feel would be appropriate to share with our users, we encourage you to contact us at info-at-chemspider-com and work with us in order to post it as a technical note.

January 22nd 2010

PDF File: A Guide to Database Curation and New Structure Deposition

In regards to the ChemSpider database curation is the manual annotation and correction of data. This may include changes to the chemical structures (structure layout for example) addition or removal of identifiers associated with the individual chemical entities, adding links to new data sources, adding new links to associated publications or adding data such as reaction syntheses. Structure Deposition is the process of uploading new structures and associated data to ChemSpider. This short tutorial will walk you through the process of both curation and deposition.

October 13th 2008

PDF File: The Curators Manual for ChemSpider

Users of ChemSpider can be granted the right to remove or add information associated with a chemical compound. These people are called Curators. This manual provides an overview of how curators can enhance the quality of data on ChemSpider.

September 7th 2008

PDF File: Adding Data Sources Information to ChemSpider

This technical note describes how to associate a particular chemical entity with an external data source such as a chemical vendor, webpage, blog-posting, Open Notebook Science page or Wikipedia page.

February 28th 2008

PDF File: Interactive Cleaning of Molecules During Curation and Deposition

This technical note describes how to improve the depiction of chemical structures and "clean" the molecule to improve the display. This process is allowed during deposition and by curators.

February 12th 2008

PDF File: Single Structure Depositions on ChemSpider

This technical note describes how to deposit structures and associated information onto ChemSpider

February 12th 2008

PDF File: The Process of Curating Identifiers on ChemSpider

This technical note describes how to curate identifiers on ChemSpider and help improve the quality of content on the database

August 21st 2007

Web Page: Structure Searching of Patents Using ChemSpider

PDF File: Structure Searching of Patents Using ChemSpider

This technical note describes how to perform structure searches of patents and the mash-up with Surechem.

August 12th 2007

Web Page: Uploading Spectra Onto ChemSpider

PDF File: Uploading Spectra Onto ChemSpider

This technical note describes how to upload spectra to ChemSpider for people to view.

August 12th 2007

Web Page: Registering on ChemSpider

PDF File: Registering on ChemSpider

This technical note describes how to register on ChemSpider.

April 17th 2007

Web Page: Adding ChemSpider Searching into Your Own Website

PDF File: Adding ChemSpider Searching into Your Own Website

This technical note describes how to embed ChemSpider text-based searches into your own website.

April 15th 2007

PDF File: Installing ChemSpider Add-ins for Firefox and Internet Explorer

This technical note describes the ability to perform text-based searches of ChemSpider using browser add-ins for Internet Explorer and Firefox.

March 30th 2007

Web Page: Integrating ACD/ChemSketch to ChemSpider for Online Property Prediction and Searching

PDF File: Integrating ACD/ChemSketch to ChemSpider for Online Property Prediction and Searching

This technical note explains how the desktop structure drawing software, ACD/ChemSketch, can be used to access both the property predictions as well as the ability to perform searches of the database.