OETanimotoSim

class OETanimotoSim : public OEGraphSim::OESimFuncBase

This class represents OETanimotoSim that calculates the Tanimoto similarity score.

Formula:

\(Sim_{Tanimoto}(A,B) = \frac{bothAB}{|A| + |B| - bothAB} = \frac{bothAB}{onlyA + onlyB + bothAB}\)

See also

• Tanimoto section

• OETanimoto function

The following methods are publicly inherited from OESimFuncBase:

operator()

CreateCopy

GetSimTypeString

Constructors

OETanimotoSim() -> OETanimotoSim

Default constructor.

operator()

__call__(fpA: OEFingerPrint, fpB: OEFingerPrint) -> float

Returns the Tanimoto similarity coefficient of the two given OEFingerPrint objects.

CreateCopy

CreateCopy() -> OETanimotoSim

Deep copy constructor that returns a copy of the object. The memory for the returned OETanimotoSim object is dynamically allocated and owned by the caller.

GetSimTypeString

GetSimTypeString() -> str

Returns a string representation of the OETanimotoSim class.