Dragon 6

Dragon 6 is an application for the calculation of molecular descriptors. These descriptors can be used to evaluate molecular structure-activity or structure-property relationships, as well as for similarity analysis and high-throughput screening of molecule databases. Actually Dragon is widely used in scientific studies as well as part of several QSAR suites.

Dragon 6 calculates 4885 molecular descriptors (see the complete descriptor list). In this latest version of Dragon, new molecular descriptors have been added, such as CATS 2D, Klein TDB autocorrelations, atom-type E-state indices, ETA descriptors, P_VSA descriptors, ring descriptors, several indices from different 2D and 3D matrices, drug-like and lead-like filters.

Dragon 6 has been reconceived with the aim of proposing an even more powerful application for descriptor calculation and analysis. Dragon 6 has been designed to work both for Windows and Linux, as graphical and command-line interface. The changes between Dragon 5.5 and Dragon 6.0 are listed in the on-line help. The Graphical User Interface has been completely renewed to improve and facilitate selection and calculation of molecular descriptors. Moreover, new tools for the screening analysis of calculated descriptors have been added.
Look at the screenshots of Dragon 6.

Have a look at the main Dragon features and at the system requirements.

Dragon 6 main characteristics:  

No. molecular descriptors

4885

No. molecular descriptor blocks

29

No. molecules per batch

unlimited

No. atoms per molecule (H included)

unlimited

Maximal atom connectivity (no. of bonds) unlimited
Number of atom weighting schemes 7

No. user-defined variables

200

Operating system Windows, Linux
Graphical user interface yes

Batch mode

yes