Blog Postings on the ChemConnector Blog
Posted by: Antony Williams in ChemConnector, ChemSpider ChemistryCopyright©2008 Antony Williams
Over on my other blog I have recently posted some comments that may be of interest to ChemSpider Blog readers
Spaces, Dashes and Issues with Nomenclature Conversion
It appears that members of the text-mining for chemistry community are using one or more of the commercial name to structure software programs to convert chemical names to structures and, prior to feeding the algorithms, they are removing all white spaces from the names. They are also doing the same, in some cases, with dashes. How well is that going to work? Is it safe to remove spaces from chemical names and assume this has no effect? Is consideration being given more to the accuracy of the text-mining than to the nature of systematic nomenclature?
Let’s look at some examples of the result of removing spaces from chemical names. Consider the different results just from moving a space. READ MORE
Hamburger PDFs and Making Them Structure Searchable
This is just an fyi comment for the community really since this is a general assumption that Word Documents and PDFs cannot be made structure-searchable. The truth is that both can be made structure searchable. How? Well, you need to write the correct information into the file to enable it but it’s possible. There are a number of solutions out there allowing structure-based searching of Word document files. I believe the first one was originally from Oxford Molecular before being acquired by Accelrys. I think there are now multiple including, I believe, Cambridgesoft, ACD/Labs and probably others. READ MORE
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December 22nd, 2011 at 8:07 am
link doesn’t work for ‘read more’
December 22nd, 2011 at 9:20 am
The links have now been updated and should work again.