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Graph kernel functions - PowerPoint PPT Presentation

Chemicals are structured as graphs. Vertices and edges correspond to atoms and bonds.

Kernel Functions for Chemical Classification Aaron Smalter, Jun Huan, Gerald Lushington {asmalter,jhuan,glushington}@ku.edu. Chemical and Graph Classification. Support Vector Machine. Chemicals are structured as graphs. Vertices and edges correspond to atoms and bonds. Labeled, undirected.

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Graph kernel functions - PowerPoint PPT Presentation

Chemicals are structured as graphs. Vertices and edges correspond to atoms and bonds.