README.md

SMARTCyp (CDK 2.0)

This is a SMARTCyp version updated for CDK 2.0 based on SMARTCyp 2.4.2 downloaded from this page. It has not been tested yet. The license is LGPL v3.

Compiling the code

Build the code with:

mvn clean install

Running the code

java -jar target/smartcyp.jar -png -smiles "CC(=O)Nc1ccc(O)cc1"

This will create an interactive HTML file.

How to cite

If you use this program for publications, please cite:

• P. Rydberg, D. E. Gloriam, J. Zaretzki, C. Breneman and L. Olsen, ACS Med. Chem. Lett., 2010, 1, 96-100
• P. Rydberg, D. E. Gloriam and L. Olsen, Bioinformatics, 2010, 26, 2988-2989
• P. Rydberg and L. Olsen, ACS Med. Chem. Lett., 2012, 3, 69-73
• P. Rydberg and L. Olsen, ChemMedChem, 2012, 7, 1202-1209
• P. Rydberg et al., Angew. Chem, Int. Ed. 2013, 52, 993-997
• P. Rydberg et al., Mol. Pharmaceutics 2013, 10, 1216-1223.