SmiLib v2.0
SmiLib is a free, platform indepentend software tool for rapid combinatorial library enumeration in the flexible and portable SMILES notation. SmiLib enumerates combinatorial libraries at rates of approximately 9,000,000 molecules per minute on fast computers.
If you wish to publish results obtained with SmiLib, please cite:
Copyright © 2006-2008, Johann Wolfgang Goethe-Universität, Frankfurt am Main, Germany. All rights reserved. Use is subject to license terms.
Current version: 2.0 rc4. A convenience method to run SmiLib as a Java library from within your own Java projects was added. Please see the change log for a list of program modifications.
Run SmiLib
SmiLib is available as a Java Web Start graphical user interface program.
Java Runtime Environment (JRE) is needed to run SmiLib.
Download SmiLib Files
Unzip and run with "java -jar SmiLib.jar".
Java Runtime Environment (JRE) is needed to run SmiLib.
> Download SmiLib v2.0 rc4 API documentation <
> Download SmiLib v2.0 rc4 source code <
> Download SmiLib v2.0 user manual <
SmiLib v2.0 is available under the terms of the The SmiLib License.
Contact the Authors
SMILIB v1.0 was developed by Andreas Schüller during an internship under supervision of Dr. Evgeny Byvatov and Prof. Dr. Gisbert Schneider at the Johann Wolfgang Goethe-University, Frankfurt am Main, Germany.
SmiLib v2.0 was developed by Volker Hähnke during an internship under supervision of PhD student Andreas Schüller and Prof. Dr. Gisbert Schneider at the Johann Wolfgang Goethe-University, Frankfurt am Main, Germany.
Enquiries should be addressed to Andreas Schüller.
If you have questions concerning the details of the program, please consult the manual and publication.
References: