OPUS 4 | Search

Molecular fragments chemoinformatics (2009)

Kuhn, Hubert ; Neumann, Stefan ; Steinbeck, Christoph ; Wittekindt, Carsten ; Zielesny, Achim

Intelligent IT-Systems? Challenges Challenges, , Fakes and Hard Science (2007)

Neumann, Stefan ; Zielesny, Achim

New developments on the cheminformatics open workflow environment CDK-Taverna (2011)

Truszkowski, Andreas ; Jayaseelan, Kalai Vanii ; Neumann, Stefan ; Willighagen, Egon L. ; Zielesny, Achim ; Steinbeck, Christoph

A molecular fragment cheminformatics roadmap for mesoscopic simulation (2014)

Truszkowski, Andreas ; Daniel, Mirco ; Kuhn, Hubert ; Neumann, Stefan ; Steinbeck, Christoph ; Zielesny, Achim ; Epple, Matthias

ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK) (2019)

Fritsch, Sebastian ; Neumann, Stefan ; Schaub, Jonas ; Steinbeck, Christoph ; Zielesny, Achim

ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK) (2019)

Schaub, Jonas ; Fritsch, Sebastian ; Neumann, Stefan ; Steinbeck, Christoph ; Zielesny, Achim

MFsim — an open Java all-in-one rich-client simulation environment for mesoscopic simulation (2020)

van den Broek, Karina ; Daniel, Mirco ; Epple, Matthias ; Hein, Jan-Mathis ; Kuhn, Hubert ; Neumann, Stefan ; Truszkowski, Andreas ; Zielesny, Achim