title: Visualizing Validation of Protein Surface Classifiers.
abstract: Many bioinformatics applications construct classifiers that are validated in experiments that compare their results to known ground truth over a corpus. In this paper, we introduce an approach for exploring the results of such classifier validation experiments, focusing on classifiers for regions of molecular surfaces. We provide a tool that allows for examining classification performance patterns over a test corpus. The approach combines a summary view that provides information about an entire corpus of molecules with a detail view that visualizes classifier results directly on protein surfaces. Rather than displaying miniature 3D views of each molecule, the summary provides 2D glyphs of each protein surface arranged in a reorderable, small-multiples grid. Each summary is specifically designed to support visual aggregation to allow the viewer to both get a sense of aggregate properties as well as the details that form them. The detail view provides a 3D visualization of each protein surface coupled with interaction techniques designed to support key tasks, including spatial aggregation and automated camera touring. A prototype implementation of our approach is demonstrated on protein surface classifier experiments.
authors.affiliation: Department of Computer Sciences, University of Wisconsin-Madison, Madison, WI, USA.
authors.forename: A
authors.initials: A
authors.lastname: Sarikaya
authors.affiliation: Department of Computer Sciences, University of Wisconsin-Madison, Madison, WI, USA.
authors.forename: D
authors.initials: D
authors.lastname: Albers
authors.affiliation: Department of Biochemistry, University of Wisconsin-Madison, Madison, WI, USA ; Department of Mathematics, University of Wisconsin-Madison, Madison, WI, USA.
authors.forename: J
authors.initials: J
authors.lastname: Mitchell
authors.affiliation: Department of Computer Sciences, University of Wisconsin-Madison, Madison, WI, USA.
authors.forename: M
authors.initials: M
authors.lastname: Gleicher
keywords: Categories and Subject Descriptors (according to ACM CCS); J.3.1 [Computer Applications]; Life and Medical Sciences—Biology and Genetics