Comments on: New ChemSpider website unveiled for feedback

By: Shauna Crane

Shauna Crane — Mon, 20 Sep 2010 20:47:37 +0000

Thanks so much for this site, i didnt know this existed and now im not sure i can live without it.. Really want the Substructure search working properly.

By: Antony Williams

Antony Williams — Wed, 18 Aug 2010 23:37:12 +0000

Nate, thanks for the positive feedback. I can commit that when the substructure search capability is added it will outperform what we have had in place until this time. Understand the feedback on the Mw prioritizing and those with links and patents. Right now it prioritizes a page based on the highest number of publications/patents and we need to enable it across multiple pages.

By: Nate Butlin

Nate Butlin — Wed, 18 Aug 2010 16:24:57 +0000

I recently came across Chemspider randomly for my current project and found the substructure tool invaluable for what I was doing, even though it was a little rough. I assume the issue is worse with the new website so that is why it isn’t available. I find this tool to be by far the most powerful option relative to what else is available on the web and look forward to it coming back. I know many who are in the same situation (industry) and are probably not aware of Chemspiders existence.

In general, I think the new site is very clean and easier to navigate, with the include/exclude hydrogens being an excellent improvement in the searching element. A couple options for the future list would be a sorting functionality on search results so that the results could be sorted by MW or prioritized by those structures having Wiki links or patents (as symbolized in the first column).

By: Antony Williams

Antony Williams — Wed, 18 Aug 2010 16:14:08 +0000

That capability doesn’t exist Chris. But it’s an interesting request. We have given the ability to position and keep open/closed certain infoboxes but this is an interesting request above and beyond that. You are a mass spectrometrist so this makes sense. Adding it to the list of potential enhancements.

By: Chris Singleton

Chris Singleton — Wed, 18 Aug 2010 15:19:43 +0000

Are there options to have some of the attributes displayed without having to explicitly select them? For example, can I set my account so that the mass is always displayed for any structure I select, without having to select the mass link?

By: Antony Williams

Antony Williams — Wed, 18 Aug 2010 12:44:14 +0000

The old substructure search capability has been removed fro the time-being as it was not working properly. We are presently reviewing options as to the best path forward to provide improved capabilities in this area and intend to rollout a new solution in the next few weeks.

By: Nate Butlin

Nate Butlin — Tue, 17 Aug 2010 22:22:45 +0000

Where did substructure searching go?!?!?