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Category: maximum common subgraph

Hopping for success

Hopping for success

Posted on April 17, 2013April 30, 2013 by tripod
Molecular scaffold is a fundamental concept in medicinal chemistry. Perhaps nowhere this is more apparent than during early stage discovery, where scaffolds are the primary means by which medicinal ch... Read More
A fragment-based approach to (multiple) MCS

A fragment-based approach to (multiple) MCS

Posted on October 22, 2010May 29, 2012 by tripod
Maximum common subgraph (MCS) is considered as one of the most challenging problems in combinatorial optimization.  As a generalization to (sub-) graph isomorphism, MCS has deep roots within cheminfo... Read More

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