This Program takes a Smiles string as input and generates corresponding Descriptor Specification and Descriptor Value. It uses cdk1.3.7.jar and cdk-jchempaint-8.jar.
Screeen Shot of the above program
Friday, January 14, 2011
Saturday, January 8, 2011
Monday, January 3, 2011
cdk varying out puts
hai, started using cdk for descriptor calculations ,here is the code
While i run this as a standalone program or thro netbeans in a linux machine i get the o/p for bcut descriptor.when on windows thro netbeans 6.8 the complete o/p is generated ..any suggestions???
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