Create a new substructure searcher with index.
Returns whether the current fragment is in the target molecule.
Set the fragment to search.
Molecule instance to set as fragment. It has to be
flagged with setFragment(true) first.
Optionalindex: number[]If the index for this fragment was computed previously, it can be provided here to save time.
Set the target molecule in which the search will be done.
Molecule instance to set as target molecule.
Optionalindex: number[]If the index for this fragment was computed previously, it can be provided here to save time.
StaticbitStaticgetStaticgetStaticgetReturns an array of the 512 idcodes that are used for computing indexes.
StaticgetStaticgetReturns the Tanimoto similarity between the two indexes.
Fast substructure search with index filtering.