Package com.chemaxon.descriptors.fingerprints.maccs

ChemAxon implementation of the MACCS 166 bit fingerprints. As of version 16.12.5.0 this functionality requres license MACCS (LicenseGlobals.MACCS) to be available.

Most important entry points for direct API usage:

• Acquire a MaccsGenerator instance by calling MaccsParameters.getDescriptorGenerator().
• Acquire a MaccsComparator with BinaryVectorMetricFactory.forBinaryMetrics(com.chemaxon.descriptors.metrics.BinaryMetrics), BinaryVectorMetricFactory.forTversky(com.chemaxon.descriptors.metrics.TverskyParameters) or BinaryVectorMetricFactory.forTverskyCoefficients(double, double)
• Generate Maccs descriptors with MaccsGenerator.generateDescriptor(chemaxon.struc.Molecule)
• Compare Maccs descriptors with DescriptorComparator.calculateDissimilarity(com.chemaxon.descriptors.common.Descriptor, com.chemaxon.descriptors.common.Descriptor). DescriptorComparator.calculateSimilarity(com.chemaxon.descriptors.common.Descriptor, com.chemaxon.descriptors.common.Descriptor) or DescriptorComparator.compare(com.chemaxon.descriptors.common.Descriptor, com.chemaxon.descriptors.common.Descriptor)

Interface Summary

Interface	Description
Maccs	Interface to define a compatible descriptor framework for the MACCS fingerprint
MaccsComparator	Interface to define a compatible comparator for the MACCS fingerprint
MaccsParameters.ConstructMaccsGenerator	Interface representing Maccs generator constructor.

Class Summary

Class	Description
MaccsParameters	Class for MACSS fingerprint parameters.
MaccsParameters.Builder	Build parameters for MACCS fingerprint descriptor generation.