As we unveil new capabilities on the ChemSpider site we clearly perform a lot of our own testing…we ARE the testing team before we push new functionality to the general users. That said, a number of you are very committed to providing us with ongoing feedback and thereby sharing the testing across the community. For this we thank you. When there has been a dedicated effort in any particular month to help “stress-test” new capabilities we like to acknowledge those who help push them…it is to the benefit of all users.

As we announced earlier this week we removed ACD/Labs’ Name to Structure batch as the background processing engine for SMILES and InChI generation and replaced it with the Openbabel open source component. The transition has been seamless and ACD/Labs staff have helped us test the conversion engine this week by pushing many SMILES and InChI strings through the system. In all cases, according to our log files, the conversions worked without fail and as expected. We officially declare this transition tested and thank ACD/Labs for their dedicated support to facilitate the transition.

Watch out for the promised structure deposition next. The development has been published as a beta capability and is presently in the hands of a few selected users for “exercise”. If you are interested in helping to test the Structure Deposition process please contact us at betatesters@chemspider.com.

Stumble it!

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