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Neumann, Stefan (4)
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2011
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Article (4)
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Westfälisches Institut für Gesundheit (4)
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ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK)
(2019)
Fritsch, Sebastian
;
Neumann, Stefan
;
Schaub, Jonas
;
Steinbeck, Christoph
;
Zielesny, Achim
A molecular fragment cheminformatics roadmap for mesoscopic simulation
(2014)
Truszkowski, Andreas
;
Daniel, Mirco
;
Kuhn, Hubert
;
Neumann, Stefan
;
Steinbeck, Christoph
;
Zielesny, Achim
;
Epple, Matthias
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
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
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