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Scaffold Hunter: Facilitating Drug Discovery by Visual Analysis of Chemical Space.

, , and . VISIGRAPP (Selected Papers), volume 359 of Communications in Computer and Information Science, page 176-192. Springer, (2012)

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Practical SAHN Clustering for Very Large Data Sets and Expensive Distance Metrics., , and . J. Graph Algorithms Appl., 18 (4): 577-602 (2014)Explicit Versus Implicit Graph Feature Maps: A Computational Phase Transition for Walk Kernels., , , and . ICDM, page 881-886. IEEE Computer Society, (2014)Faster Algorithms for the Maximum Common Subtree Isomorphism Problem., , and . MFCS, volume 58 of LIPIcs, page 33:1-33:14. Schloss Dagstuhl - Leibniz-Zentrum fuer Informatik, (2016)A Fixed-Parameter Algorithm for the Max-Cut Problem on Embedded 1-Planar Graphs., , and . IWOCA, volume 10979 of Lecture Notes in Computer Science, page 141-152. Springer, (2018)MolMap - Visualizing Molecule Libraries as Topographic Maps., , , and . GRAPP/IVAPP, page 515-524. SciTePress, (2013)Designing q-Unique DNA Sequences with Integer Linear Programs and Euler Tours in De Bruijn Graphs., , and . GCB, volume 26 of OASIcs, page 82-92. Schloss Dagstuhl - Leibniz-Zentrum für Informatik, (2012)Enumeration of Maximum Common Subtree Isomorphisms with Polynomial-Delay., , , and . ISAAC, volume 8889 of Lecture Notes in Computer Science, page 81-93. Springer, (2014)Recent Advances in Kernel-Based Graph Classification., and . ECML/PKDD (3), volume 10536 of Lecture Notes in Computer Science, page 388-392. Springer, (2017)On maximum common subgraph problems in series-parallel graphs., , and . Eur. J. Comb., (2018)A Unifying View of Explicit and Implicit Feature Maps for Structured Data: Systematic Studies of Graph Kernels., , , , and . CoRR, (2017)