Context-Aware Visual Exploration of Molecular Databases

Facilitating the visual exploration of scientific data has\ud received increasing attention in the past decade or so. Especially\ud in life science related application areas the amount\ud of available data has grown at a breath taking pace. In this\ud paper we describe an approach that allows for visual inspection\ud of large collections of molecular compounds. In\ud contrast to classical visualizations of such spaces we incorporate\ud a specific focus of analysis, for example the outcome\ud of a biological experiment such as high throughout\ud screening results. The presented method uses this experimental\ud data to select molecular fragments of the underlying\ud molecules that have intere…