An algorithm for pharmacophore identification was developed. It consists of generating fingerprints and then using a Gibbs sampling method to find pharmacophores. The algorithm was tested on different datasets, yielding similar results to previous studies and better in some cases.
An algorithm for pharmacophore identification was developed. It consists of generating fingerprints and then using a Gibbs sampling method to find pharmacophores. The algorithm was tested on different datasets, yielding similar results to previous studies and better in some cases.