Making data structures persistent
Journal of Computer and System Sciences - 18th Annual ACM Symposium on Theory of Computing (STOC), May 28-30, 1986
Handbook of theoretical computer science (vol. A): algorithms and complexity
Handbook of theoretical computer science (vol. A): algorithms and complexity
The logic engine and the realization problem for nearest neighbor graphs
Theoretical Computer Science - Special issue on theoretical computer science in Australia and New Zealand
Effective nearest neighbors searching on the hyper-cube, with applications to molecular clustering
Proceedings of the fourteenth annual symposium on Computational geometry
On the approximation of largest common subtrees and largest common point sets
Theoretical Computer Science
The STL Tutorial and Reference Guide: C++ Programming with the Standard Template Library
The STL Tutorial and Reference Guide: C++ Programming with the Standard Template Library
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A common strategy in drug design and pharmacophore identification consists of evaluating large sets of molecular structures by comparing their 2D structure drawings. To simplify the chemists' task, the drawings should reveal similarities and differences between drugs. Given a family of molecules all containing a common template, we present an algorithm to compute standardised 2D structure drawings. The molecules being represented as a graph, we compute a structure called supertree in which all molecules can be embedded. Using the correspondences between atoms provided by the supertree, we are able to coordinate the drawings performed by a breadth-first traversal of the molecular graphs. Both parts of the problem are NP-hard. We propose algorithms of heuristic nature.