Hello,
I have just started with writing Java program using CDK and I am having a
little problem in claculating descriptors. I was wondering if there is a
simple code or snippet that uses DescriptorEngine() to calculate all the
molecular descriptors for a list of molecules in sdf file.
Please advice,
Anurag
--
Anurag Passi
Sr. Project Fellow
OSDD, CSIR
00-91-9899767938
skype: anurag.passi
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