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