Datawarrior

Chemistry-aware multi-purpose data visualization and analysis program

DataWarrior is an interactive, chemistry-aware multi-purpose data visualization and analysis program. It works on any kind of tabular data assuming rows to contain objects or cases and columns to contain associated properties and values. DataWarrior provides interactive views to visualize data, to discover correlations and to extract hidden knowledge from large data sets. Data filters allow focusing on specific data subsets in a dynamic way. Chemical intelligence is woven into the program to work with chemical structures as easily as with numerical values. Data can be filtered on structural motives, views are chemistry aware, molecule properties can be predicted from chemical structures, and specialized cheminformatics methods explore the relationship between chemical structure and measured properties. DataWarrior supports multiple files types and allows merging data from files with data from the clipboard or from databases.

WWW http//www.openmolecules.org/