On Thursday 06 July 2006 15:57, Nina Jeliazkova wrote:
> The method process(IAtomContainer molecule) throws an exception when some
> descriptor can not be calculated, which is quite logical.
In the future (not-so-far-future I hope...) it will write a patch that takes
advantage of the DataFeatures
Hello all,
I have couple of questions about org.openscience.cdk.qsar.DescriptorEngine.
The method process(IAtomContainer molecule) throws an exception when some
descriptor can not be calculated, which is quite logical.
However, if an exception is thrown for a descriptor in the middle of the l
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