A molecular fragment cheminformatics roadmap for mesoscopic simulation

Andreas Truszkowski, Mirco Daniel, Hubert Kuhn, Stefan Neumann, Christoph Steinbeck, Achim Zielesny, Matthias Epple. A molecular fragment cheminformatics roadmap for mesoscopic simulation. J. Cheminformatics, 6(1):45, 2014. [doi]

Abstract

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