0000000000326316
AUTHOR
Michael R. Berthold
Context-Aware Visual Exploration of Molecular Datab
Facilitating the visual exploration of scientific data has received increasing attention in the past decade or so. Especially in life science related application areas the amount of available data has grown at a breath taking pace. In this paper we describe an approach that allows for visual inspection of large collections of molecular compounds. In contrast to classical visualizations of such spaces we incorporate a specific focus of analysis, for example the outcome of a biological experiment such as high throughout screening results. The presented method uses this experimental data to select molecular fragments of the underlying molecules that have interesting properties and uses the res…
Fuzzy subgroup mining for gene associations
When studying the therapeutic efficacy of potential new drugs, it would be much more efficient to use predictors in order to assess their toxicity before going into clinical trials. One promising line of research has focused on the discovery of sets of candidate gene profiles to be used as toxicity indicators in future drug development. In particular genomic microarrays may be used to analyze the causality relationship between the administration of the drugs and the so-called gene expression, a parameter typically used by biologists to measure its influence at gene level. This kind of experiments involves a high throughput analysis of noisy and particularly unreliable data, which makes the …