Now showing items 1-3 of 3

  • Fast conditional density estimation for quantitative structure-activity relationships

    Buchwald, Fabian; Girschick, Tobias; Kramer, Stefan; Frank, Eibe (Association for the Advancement of Artificial Intelligence, 2010)
    Many methods for quantitative structure-activity relationships (QSARs) deliver point estimates only, without quantifying the uncertainty inherent in the prediction. One way to quantify the uncertainy of a QSAR prediction ...
  • Maximum Common Subgraph based locally weighted regression

    Seeland, Madeleine; Buchwald, Fabian; Kramer, Stefan; Pfahringer, Bernhard (ACM, 2012)
    This paper investigates a simple, yet effective method for regression on graphs, in particular for applications in chem-informatics and for quantitative structure-activity relationships (QSARs). The method combines Locally ...
  • A study of hierarchical and flat classification of proteins

    Zimek, Arthur; Buchwald, Fabian; Frank, Eibe; Kramer, Stefan (2008)
    Automatic classification of proteins using machine learning is an important problem that has received significant attention in the literature. One feature of this problem is that expert-defined hierarchies of protein classes ...

Fabian Buchwald has 6 co-authors in Research Commons.