ChemDes

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Please select Fingerprints: Chemopy--Daylight-type fingerprints Chemopy--MACCS fingerprints Chemopy--Atom pairs fingerprints Chemopy--Morgan fingerprints Chemopy--TopologicalTorsion fingerprints Chemopy--E-state fingerprints Chemopy--FP4 fingerprints Pybel--FP2 fingerprints Pybel--FP3 fingerprints Pybel--FP4 fingerprints Pybel--MACCS fingerprints CDK--Pubchem fingerprints CDK--Daylight fingerprints CDK--Extended fingerprints CDK--Estate fingerprints CDK--MACCS fingerprints CDK--Klekota-roth fingerprints CDK--Graph fingerprints CDK--Substructure fingerprints CDK--Hybridization fingerprints RDKit--Pattern fingerprints RDKit--MACCSKeys fingerprints RDKit--E-state fingerprints RDKit--Atom Pairs fingerprints RDKit--Morgan fingerprints RDKit--TopologicalTorsion fingerprints RDKit--RDK fingerprints RDKit--Layered fingerprints PaDEL--Pubchem fingerprints PaDEL--MACCS fingerprints PaDEL--CDK fingerprints PaDEL--CDK extended fingerprints PaDEL--Klekota-Roth fingerprints PaDEL--Klekota-Roth fingerprint count PaDEL--CDK graph only fingerprints PaDEL--Substructure fingerprints PaDEL--Substructure fingerprint count PaDEL--2D atom pairs fingerprints PaDEL--2D atom pairs fingerprint count PaDEL--E-state fingerprints jCompoundMapper--DFS jCompoundMapper--ASP jCompoundMapper--AP2D jCompoundMapper--AT2D jCompoundMapper--AP3D jCompoundMapper--AT3D jCompoundMapper--CATS2D jCompoundMapper--CATS3D jCompoundMapper--PHAP2POINT2D jCompoundMapper--PHAP3POINT2D jCompoundMapper--PHAP2POINT3D jCompoundMapper--PHAP3POINT3D jCompoundMapper--ECFP jCompoundMapper--ECFPVariant jCompoundMapper--LSTAR jCompoundMapper--SHED jCompoundMapper--RAD2D jCompoundMapper--RAD3D jCompoundMapper--MACCS Output format: FULL CSV