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RDKit
Open-source cheminformatics and machine learning.
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Files | |
file | AUTOCORR2D.h [code] |
file | AUTOCORR3D.h [code] |
file | ConnectivityDescriptors.h [code] |
Use MolDescriptors.h in client code. | |
file | Crippen.h [code] |
Use MolDescriptors.h in client code. | |
file | Data3Ddescriptors.h [code] |
file | EEM.h [code] |
file | GETAWAY.h [code] |
file | Lipinski.h [code] |
Contains Lipinski and Lipinski-like descriptors. Use MolDescriptors.h in client code. | |
file | MolData3Ddescriptors.h [code] |
file | MolDescriptors.h [code] |
file | MolDescriptors3D.h [code] |
file | MolSurf.h [code] |
Use MolDescriptors.h in client code. | |
file | MORSE.h [code] |
file | MQN.h [code] |
Use MolDescriptors.h in client code. | |
file | PBF.h [code] |
file | PMI.h [code] |
file | Property.h [code] |
file | RDF.h [code] |
file | RegisterDescriptor.h [code] |
file | USRDescriptor.h [code] |
Contains the USR descriptor. Use MolDescriptors.h in client code. | |
file | WHIM.h [code] |