Data reduction and representation in drug discovery.

ABSTRACT

Pre-clinical drug discovery relies increasingly on huge volumes of inter-related multivariate data. To make sense of these data and enable quality decision-making based on this plethora of information they must be presented in an interpretable form. Reducing the dimensionality of the data often leaves a data set that is too complex to interpret readily, so intuitive visualization methods are needed. Bioinformatics has provided much of the impetus for visualizing complex data, the cheminformatics community has been aggressive with the data-reduction problem. The increasing appreciation of the inter-related multifactorial nature of pre-clinical drug discovery makes visualization a burgeoning and active field that spans biosciences, mathematics and visual psychology.