Approximation of Graph Kernel Similarities for Chemical Graphs by Kernel Principal Component Analysis

Georg Hinselmann, Andreas Jahn, Nikolas Fechner, Lars Rosenbaum, Andreas Zell. Approximation of Graph Kernel Similarities for Chemical Graphs by Kernel Principal Component Analysis. In Clara Pizzuti, Marylyn D. Ritchie, Mario Giacobini, editors, Evolutionary Computation, Machine Learning and Data Mining in Bioinformatics - 9th European Conference, EvoBIO 2011, Torino, Italy, April 27-29, 2011. Proceedings. Volume 6623 of Lecture Notes in Computer Science, pages 123-134, Springer, 2011. [doi]

Abstract

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