Dissimilarity

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Computes dissimilarity values between two molecules.

JCDissimilarityCFEuclidean

Returns dissimilarities calculated with Euclidean distances based on a chemical fingerprint. You can find detailed information about this fingerprint here:

http://www.chemaxon.com/jchem/doc/user/fingerprint.html

JCDissimilarityCFTanimoto

Returns dissimilarities calculated with Tanimoto distances based on a chemical fingerprint.

JCDissimilarityPFEuclidean

Returns dissimilarities calculated with Euclidean distances based on a pharmacophore fingerprint. You can find detailed information about this fingerprint here:

http://www.chemaxon.com/jchem/doc/user/PFp2D.html

JCDissimilarityPFTanimoto

Returns dissimilarities calculated with Tanimoto distances based on a pharmacophore fingerprint.

JCDissimilarityBCUTEuclidean

Returns BCUT values calculated based on Euclidean distances.

JCHitColorStructure

Colors the hit molecules of a substructure search.

JCHitColorSimilarityStructure

Colors the hit molecules of a similarity search.

JCSubstructureMatch

Returns TRUE if the query (substructure) is present in the target molecule, and FALSE if it doesn't.

JCSubstructureMatchCount

Returns the number of query molecules (substructures) in the target molecule.

 

You can find related information about dissimilarity functions here:

http://www.chemaxon.com/marvin/help/chemicalterms/EvaluatorFunctions.html#dissimilarity_functions

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