Dissimilarity

Computes dissimilarity values between two molecules.

JCDissimilarityCFEuclidean

Returns dissimilarities calculated with Euclidean distances based on a chemical fingerprint. For more information regarding this topic, see Chemical Fingerprints.

JCDissimilarityCFTanimoto

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

JCDissimilarityPFEuclidean

Returns dissimilarities calculated with Euclidean distances based on a pharmacophore fingerprint. For more information regarding this topic, see Pharmacophore Fingerprint PF.

JCDissimilarityPFTanimoto

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

JCDissimilarityBCUTEuclidean

Returns dissimilarities based on Euclidean distances and BCUT values. For more information regarding the dissimilarity functions, see the Function list.

JCHitColorStructure

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

JCHitColorSimilarityStructure

A similarity search can be performed with this function, returns colored hit molecules. For more information regarding the hit coloring functions, see the Hit display-coloring.

JCSubstructureMatch

Returns TRUE if the query (substructure) is present in the target molecule, and FALSE if it does not.

JCSubstructureMatchCount

Returns the number of query molecules (substructures) in the target molecule. For more information regarding the match function, see the Function list.