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\paragraph{Descriptor Calculators} Calculators (Table~\ref{descriptors})}  4D Flexible Atom-Pair Kernel (4D FAP) computes a `4D' similarity measure from the molecular graphs of an ensemble of conformations which can be incorporated into QSAR models.  The BlueDesc descriptor calculator is a command-line tool that converts an MDL SD file into ARFF and LIBSVM format using CDK and JOELib2 for machine learning and data mining purposes. It computes 174 descriptors taken from both libraries.