Matched Pair analysis and transformations

A program that loads a previouly generated Matched Pair index, then reads an input set of structures and outputs transformed structures based on the matched pairs discovered during indexing.

../_images/searchmmp.png

Schematic representation of the Matched Pair Analysis process

Command Line Interface

Usage: ./MatchedPairTransform index.mmpidx input.sdf output.sdf

Code

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MatchedPairTransform.cs