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 (IEEE Computer Society, 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.