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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:

A. Schüller, V. Hähnke, G. Schneider; SmiLib v2.0: A Java-Based Tool for Rapid Combinatorial Library Enumeration, QSAR & Combinatorial Science 2007, 3, 407-410.

Copyright © 2006-2008, Johann Wolfgang Goethe-Universität, Frankfurt am Main, Germany. All rights reserved. Use is subject to license terms.

NEW: A new, bug-fixed release candidate SmiLib 2.0 rc2 is now available for download. 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) 5.0 is needed to run SmiLib.

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Download SmiLib Files

> Download SmiLib v2.0 <

Unzip and run with "java -jar SmiLib.jar".

Java Runtime Environment (JRE) 5.0 is needed to run SmiLib.

> Download SmiLib v2.0 API documentation <

> Download SmiLib v2.0 source code <

> Download SmiLib v2.0 user manual <

SmiLib v2.0 is available under the terms of the The SmiLib License.

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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:

A. Schüller, V. Hähnke, G. Schneider; SmiLib v2.0: A Java-Based Tool for Rapid Combinatorial Library Enumeration, QSAR & Combinatorial Science 2007, 3, 407-410.

A. Schüller, G. Schneider, E. Byvatov; SMILIB: Rapid Assembly of Combinatorial Libraries in SMILES Notation, QSAR & Combinatorial Science 2003, 22, 719-721.

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