7 results
- Go to itemShape descriptor implements a 3D alignment based similarity calculation. At descriptor generation a specific molecule representat…0
- Go to itemCalculates lowest and highest eigenvalues of the original Burden matrix and the three variant introduced by Pearlamn and Smith (r…0
- Go to itemThe fingerprints encode the topological connection between atoms of the chemical graph. Though such encoding loses information, s…0
- Go to itemECFPs are circular topological fingerprints designed for molecular characterization, similarity searching, and structure-activity…0
- Go to itemThe fingerprints (which are chemical descriptors) are constructed from sequences of histograms, each of these histograms have the…0