Dragon
Dragon 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 highthroughput screening of molecule databases.
Dragon has been designed to work both for Windows and Linux. There are two versions for Windows, Dragon Professional, which can only work in stand-alone mode and Dragon Plus, which can work both in stand-alone and background mode. For Linux there only is one version, called dragonX, which works in background mode by a command line. Read what's new in the latest release of Dragon.
Dragon calculates 3224 molecular descriptors (see here the descriptor list).
The user can calculate not only the simplest atom type, functional group and fragment counts, but also several topological and geometrical descriptors. Some molecular properties are also calculated by using some common models taken from the literature. Moreover, the Lipinski's alert together with some drug-like indices are provided.
Have a look at the main Dragon features and at the system requirements.
1) currently tested until to 250,251 molecules (NCI database) and 800 atoms per molecule.
Dragon 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 highthroughput screening of molecule databases. Dragon has been designed to work both for Windows and Linux. There are two versions for Windows, Dragon Professional, which can only work in stand-alone mode and Dragon Plus, which can work both in stand-alone and background mode. For Linux there only is one version, called dragonX, which works in background mode by a command line. Read what's new in the latest release of Dragon. Dragon calculates 3224 molecular descriptors (see here the descriptor list).
The user can calculate not only the simplest atom type, functional group and fragment counts, but also several topological and geometrical descriptors. Some molecular properties are also calculated by using some common models taken from the literature. Moreover, the Lipinski's alert together with some drug-like indices are provided. Have a look at the main Dragon features and at the system requirements. | Characteristics | Dragon version |
||||
| Windows | Linux | ||||
| EVAL | PROF | PLUS | dragonX | ||
No. molecular descriptors |
3,224 | 3,224 | 3,224 | 3,224 | |
No. molecules per batch |
50 | 50,000 |
50,000 |
unlimited1 |
|
No. atoms per molecule (H included) |
50 | 1000 |
1000 |
unlimited1 |
|
No. user-defined variables |
6 | 100 |
100 |
100 |
|
No. classes per categorical variable |
20 | 20 |
20 |
20 |
|
No. molecular descriptor blocks |
22 | 22 |
22 |
22 |
|
| Statistics, graphics and correlation analysis | yes | yes |
yes |
no |
|
Result saving |
no | yes |
yes |
yes |
|
Batch mode (* only batch mode) |
no | no |
yes |
yes* |
|
| Extended manual | no | yes | yes | yes | |