OEFPTypeΒΆ

This namespace contains constants representing various OEFingerPrint types available in the GraphSim TK.

See also

Circular

This constant represents the circular fingerprint type.

Circular fingerprints are generated by exhaustively enumerating all circular fragments grown radially from each heavy atom of the molecule up to the given radius and then hashing these fragments into a fixed-length bitvector.

See also

Lingo

This constant represents the LINGO fingerprint type.

See also

MACCS166

This constant represents the MACCS key fingerprint type.

See also

Path

This constant represents the path fingerprint type.

Path fingerprints are generated by exhaustively enumerating all linear paths of a molecular graph up to a given size and then hashing these fragments into a fixed-length bitvector.

See also

Tree

This constant represents the tree fingerprint type.

A tree fingerprint is generated by exhaustively enumerating all trees of a molecular graph up to a given size and then hashing these fragments into a fixed-length bitvector.

See also