We are all about Collaboration…it’s in our name! Since our databases sit on a growing foundation of small molecules and their potential contributions to drug discovery, it is natural that we would want to connect our structure collection to additional information that could be of value to our users. There are many open resources of structure-based content available on the internet. Some of those resources include PubChem, DrugBank, KEGG and many other databases. We want to focus our resources on developing the CDD software platform and partner with those resources providing the greatest value to our users so, when selecting a public resource for providing additional information we chose ChemSpider.
ChemSpider is a free resource for chemists providing access to over 21 million unique chemical entities sourced from almost 150 data sources, many of these of value to drug discovery scientists. ChemSpider has already indexed PubChem, Wikipedia, DrugBank, PubChem and many other valuable resources. We don’t have to do that work. ChemSpider also actively curates and enhances the data on an ongoing basis using a crowdsourcing approach. We all benefit.
As an example of the linking between records the following integration path is shown below with the ChemSpider link highlighted. When this is selected you are taken directly to the ChemSpider record as shown below, in this case into the ChemSpider record here.
ChemSpider has a series of web services available that we might take further advantage of in the future. For now we are happy to connect across the web to the spider.
This blog is authored by members of the CDD Vault community. CDD Vault is a hosted drug discovery informatics platform that securely manages both private and external biological and chemical data. It provides core functionality including chemical registration, structure activity relationship, chemical inventory, and electronic lab notebook capabilities!
CDD Vault: Drug Discovery Informatics your whole project team will embrace!