During a recent discussion about ChemSpider interest was expressed in whether or not ChemSpider would be supporting toxicity and Safety data. It’s been on our list for a while but questions result in action…so, check out the following links. Scroll to the bottom to the supplementary information.

Sodium Acetate Trihydrate

sodium-acetate.png

Benzoyl Peroxide

benzoyl-peroxide.png

There are about another 3000 records with such information on the website now. Click on any of the question marks and up pops a dialog box explaining what the property is…and admittedly the example below is rather obvious!

help-boxes.png

Also, notice the wiki link wikilink.png which takes you out to the originating site for the data.

As an example of the process used to map the fields see below how we take the original fields and then map them to other fields to “homogenize”. Notice the meta info layer too, specifically the associated units.

mapping-fields.png

Mapping choices are made according to the pulldown menu shown below.

mapping-fields-2.png

The_process to gather, map and publish this data has now been tested on two different datasets. It is not yet perfect but we improve with every iteration and, I believe, will shortly have an optimized process for scraping and publishing. I believe that the processes we are developing here will provide a smooth and highly functional system for gathering depositing data and efficiently integrate it to our database and make it easy to expand the associated data and knowledge associated with the structures on ChemSpider.

Stumble it!

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