Representation of Three-Dimensional Digital Images
ACM Computing Surveys (CSUR)
Determining Similarity of Conformational Polymorphs
ESA '02 Proceedings of the 10th Annual European Symposium on Algorithms
Measuring protein structural similarity by maximum common edge subgraphs
ICIC'10 Proceedings of the Advanced intelligent computing theories and applications, and 6th international conference on Intelligent computing
| Hi-index | 48.22 |
An algorithm for detecting occurrences of a three-dimensional pattern of objects within a larger structure is presented. The search technique presented uses the geometric structure of the pattern to define characteristics demanded of candidates for matching. This is useful in cases where the properties of each atom, considered individually, do not adequately limit the number of sets of possible matchings.Several applications of this technique in the field of chemistry are: (1) in pharmacology: searching for a common constellation of atoms in molecules possessing similar biological activities; (2) in X-ray crystallography: fitting a structure or a structural fragment to a set of peaks in the electron-density distribution of a Fourier map; (3) in chemical documentation: retrieving from a file the structures containing specified substructures.