Latest version 1.3.0.92 (Nov 12 2016)
About
McQSAR generates quantitative structure-activity relationships (QSAR equations) using the genetic function approximation paradigm.
The software has been ported to Linux, Mac OSX, and Microsoft Windows platforms.
Contact information
Mikko Vainio
email: mikko piste vainio at abo piste fi
Bibliographic reference
Please cite:
Mikko J. Vainio and Mark S. Johnson (2005) McQSAR: A Multiconformational Quantitative Structure-Activity Relationship Engine Driven by Genetic Algorithms. J. Chem. Inf. Model. 45, 1953-1961.
Acknowledgements
Åbo Akademi University, Department of Biochemistry and Pharmacy, especially the folks at Structural Bioinformatics Laboratory
Thanks to Dr. Pauli Saarenketo, Dr. Anna-Marja Hoffrén, Kurt Kokko, Dr. Ville-Veikko Rantanen and Mikko Huhtala for suggestions and inspiring discussions.
The development of McQSAR was made possible by funding from the Academy of Finland and Sigrid Jusélius Foundation.
Other software from our group
For those interested in conformer generation, why not try out BALLOON.