MetaPrint2D

MetaPrint2D is a tool using data-mining techniques to predict sites of Xenobiotic Metabolism, and the likely transformations taking place and metabolites formed.

Documentation Link: 

www-metaprint2d.ch.cam.ac.uk

Source code available: 
No
Binary available: 
No
Sample data available: 
No
Online demonstration available: 
Yes
Licence terms: 

Parts of MetaPrint2D are available under the GNU Affero General Public License.

MetaPrint2D is made available in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.

Availability: 

Offered as a web service at:

http://www-metaprint2d.ch.cam.ac.uk

Sample data sets: 

Enter the SMILES string:

CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3

Sample Results: 

To use the program: