AFGen: Fragment-based Descriptors for Chemical Compounds

Related research publications

Comparison of Descriptor Spaces for Chemical Compound Retrieval and Classification. Nikil Wale, Ian Watson, and George Karypis. Knowledge and Information Systems, 2007.

Methods for Effective Virtual Screening and Scaffold-Hopping in Chemical Compounds. Nikil Wale and George Karypis. Computational Systems Biology (CSB), pp. 403-416, 2007.

Acyclic Subgraph-based Descriptor Spaces for Chemical Compound Retrieval and Classification. Nikil Wale and George Karypis. IEEE International Conference on Data Mining (ICDM), 2006.

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