RDKit
Open-source cheminformatics and machine learning.
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Files | |
SearchResults.h | |
SubstructureResults.h | |
Synthon.h | |
SynthonSet.h | |
SynthonSpace.h | |
contains a class for searching combinatorial libraries in Synthon format such as Enamine REAL. | |
SynthonSpaceFingerprintSearcher.h | |
SynthonSpaceSearch_details.h | |
SynthonSpaceSearcher.h | |
SynthonSpaceSubstructureSearcher.h | |