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:
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:
Sample data sets:
Enter the SMILES string:
CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3
Sample Results:
To use the program:
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