« How Accurate should NMR Predictions be? | Main | More Dialogue on NMRShiftDB Debate »

May 30, 2007


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Re: "Why do you reinvent existing systems - there are a lot of systems (with much better performance !) already around (a few in alphabetical order: ACD, CSEARCH, KnowItAll, NMRPredict, SDBS, SPECINFO)"

To develop better predictive software, you need data. Unfortunately, many (or all??) of the existing algorithms and software were developed by academics collaborating with commercial database providers, with the result that their software became proprietary; i.e. in scientific terms, a waste of time (sometimes decades of work), as no other scientist can build on the work done.

NMRShiftDB is a step towards providing data that scientists can use to develop algorithms and software that advance science.

Ryan Sasaki

Excellent point baoilleach!

Thanks for the comment. I completely agree with you in regards to providing data that scientists can use to develop algorithms and software to advance science.

It is a major advantage provided by open source systems...again, something that the commercial systems that Robien describes do not provide to the public!

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