RDKit
Open-source cheminformatics and machine learning.
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RGroupScore.h File Reference
#include "RGroupMatch.h"
#include <vector>
#include <deque>
#include <set>

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Classes

struct  RDKit::CartesianProduct
 iterate through all possible permutations of the rgroups More...
 
class  RDKit::RGroupScorer
 

Namespaces

namespace  RDKit
 Std stuff.