Class LingoFingerprinter

java.lang.Object
org.openscience.cdk.fingerprint.AbstractFingerprinter
org.openscience.cdk.fingerprint.LingoFingerprinter
All Implemented Interfaces:
IFingerprinter

public class LingoFingerprinter extends AbstractFingerprinter implements IFingerprinter
An implementation of the LINGO fingerprint [Vidal, D. et. al.. J. Chem. Inf. Model.. 2005. 45].

While the current implementation converts ring closure symbols to 0's it does not convert 2-letter element symbols to single letters (ala OpenEye).

Author:
Rajarshi Guha
Source code:
main
Belongs to CDK module:
smiles
Keywords:
fingerprint, hologram
  • Constructor Details

    • LingoFingerprinter

      public LingoFingerprinter()
      Initialize the fingerprinter with a default substring length of 4.
    • LingoFingerprinter

      public LingoFingerprinter(int n)
      Initialize the fingerprinter.
      Parameters:
      n - The length of substrings to consider
  • Method Details