Python Cookbook Examples

There are large number of code examples available in OpenEye Python Cookbook that use OpenEye Toolkits to solve a wide range of cheminformatics and molecular modeling problems.

• 2D Depiction chapter contains examples that illustrate how the OEDepict TK and Grapheme TK can be utilized to depict molecules and visualize properties calculated with other OpenEye toolkits.

• Visualizing 3D Information chapter contains examples that illustrate how the Grapheme TK can be utilized to project complex 3D information into the 2D molecular graph.

• Cheminformatics chapter contains examples that solve various cheminformatics problems such as similarity search, ring perception and manipulating molecular graphs.

OpenEye Python Cookbook examples using OEGraphSim TK

• Similarity Searching of Large Molecule Files

• Rapid Similarity Searching of Large Molecule File

• Finding Core Fragment of a Molecule Series

• Depicting Molecule Similarity Based on Fingerprints

• Drawing Fingerprint Score Histogram