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:

https://docs.chemaxon.com/display/docs/Chemical+Hashed+Fingerprint

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:

https://docs.chemaxon.com/display/docs/Pharmacophore+Fingerprint+PF

JCDissimilarityPFTanimoto

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

JCDissimilarityBCUTEuclidean

Returns dissimilarites based on Euclidean distances and BCUT values.

You can find related information about dissimilarity functions here.

 

JCHitColorStructure

Substructure search can be performed with this function, returns colored hit molecules.

JCHitColorSimilarityStructure

Similarity search can be performed with this function, returns colored hit molecules.

You can find more detailed information about functions related to hit coloring here.

 

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 more detailed information about "match" function in the Chemical Terms Reference Tables.


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