DataWarrior

DataWarrior is a free Cheminformatics program for data visualization and analysis. The program combines dynamic graphical views and interactive row filtering with chemical intelligence.

You can scatter plots, box plots, bar charts and pie charts not only to visualize numerical or category data, but also to show trends of multiple scaffolds or compound substitution patterns. The program supports the enumeration of combinatorial libraries as the creation of evolutionary libraries. Compounds can be clustered and diverse subsets can be picked. Calculated compound similarities can be used for multidimensional scaling methods.