Package com.chemaxon.descriptors.fingerprints.maccs

package com.chemaxon.descriptors.fingerprints.maccs

ChemAxon implementation of the MACCS 166 bit fingerprints.

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)

Class	Description
Maccs	Interface to define a compatible descriptor framework for the MACCS fingerprint
MaccsComparator	Interface to define a compatible comparator for the MACCS fingerprint
MaccsGenerator	Interface to define the MACCS fingerprint generator
MaccsParameters	Class for MACSS fingerprint parameters.
MaccsParameters.Builder	Build parameters for MACCS fingerprint descriptor generation.
MaccsParameters.ConstructMaccsGenerator	Interface representing Maccs generator constructor.