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Tanimoto similarity
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Basic, LINGO, Extended, E-State, PubChem, Shortest Path, Substructure
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Atom counts
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All atoms, Carbon, Oxygen, Sulphur, Nitrogen, Phosphor, Aromatic atoms, Spiro atoms, C1SP1, C2SP1, C1SP2, C2SP2, C3SP2, C1SP3, C2SP3, C3SP3, C4SP3
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Bond counts
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All bonds, Aromatic bonds, Single, Double, Triple, Quadruple, Rotatable
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Group counts
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Acidic groups, Basic groups, All small rings, Aromatic rings, Rings of size 3–9, All rings, H-bond acceptors, H-Bond donors
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LogP values
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Mannhold LogP, JPLogP, XLogP, ALogP, ALogP2
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Autocorrelation
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ATS charge, ATS mass, ATS polarizability
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Electronic descriptors
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Atomic polarizability, Bond polarizability, Fractional PSA, Topological PSA, Molar refractivity
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Miscellaneous
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Molecular weight, Eccentric connectivity, FMF, SP3 fraction, Fragment complexity, 1–3. kappa shape index, Largest pi system, Largest chain, Longest aliphatic chain, Petitjean number, Petitjean shape index, VdW volume, Vertex adjacency, Weighted path descriptor, Wiener path number, Wiener polarity number, Zagreb index, Equality
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