The CDK Descriptor Calculator allows easy evaluation of the CDK molecular descriptors. By default, all descriptors will be evaluated though it is easy to select individual descriptors or groups of descriptors. Evaluate CDK molecular descriptors easily.
Though the design of the descriptors allows a number of them to take parameters controlling what is calculated the current version of this software restricts itself to the default parameter settings for each descriptor.
CDK Descriptor Calculator Features:
1. Automatically detects descriptor classes defined in the CDK QSAR descriptor dictionary
2. Groups of descriptors and individual descriptors can be selected for evaluation
3. Input can be SDF or SMI formats
4. Output can be a variety of delimited text formats, annotated SDF or ARFF
5. Can evaluate fingerprints (hashed, MACCS, EState)

Requirements:
* Java

The license of this software is Free, you can free download and free use this calculator software.