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This repository has been archived and is no longer maintained.The code is provided for historical reference and may contain unpatched or unknown vulnerabilities. It should not be used in production systems.

12.21.2012

An updated implementation of the PubChem substructural keys fingerprint. This blog post provides a brief high-level description of the code. To build, you'll need to have Apache ant installed. Simply type ant and off you go. Please report questions and/or problems to nguyenda@mail.nih.gov.

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PubChem fingerprint implementation based on the specification https://ftp.ncbi.nlm.nih.gov/pubchem/specifications/pubchem_fingerprints.txt

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