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
MaccsParameters	Class for MACSS fingerprint parameters.
MaccsParameters.Builder	Build parameters for MACCS fingerprint descriptor generation.
MaccsParameters.ConstructMaccsGenerator	Interface representing Maccs generator constructor.