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Programer's Guide
Fingerprint Toolkit
Supporting fingerprint creation and customization

The Fingerprint Toolkit is a programming library which provides a comprehensive programmatic interface to Daylight's fingerprinting and similarity algorithms. In addition, the toolkit provides control over the fingerprinting algorithm, including folding, bit-manipulation, and similarity comparisons. This toolkit can also be used to implement custom fingerprinting and similarity algorithms.

Objects supported by this Toolkit include:
  • Fingerprint - object representing a fingerprint
This Toolkit can be used to:
  • Allocate and create new fingerprint
  • Fingerprint molecule and reaction objects
  • Specify size and folding parameters for a fingerprint
  • Manipulate fingerprints in a bitwise fashion
  • Directly access 15 named similarity metrics (e.g., Tanimoto, Euclidean, and Tversky similarity functions)
  • Create new similarity metrics with mathematical expressions
  • Create mixture fingerprints for large libraries