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Zielesny, Achim (5)
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Westfälisches Institut für Gesundheit (5)
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SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation
(2018)
van den Broek, Karina
;
Daniel, Mirco
;
Epple, Matthias
;
Kuhn, Hubert
;
Schaub, Jonas
;
Zielesny, Achim
PSMILES – A particle-based Molecular Structure Representation for Mesoscopic Simulation
(2018)
van den Broek, Karina
;
Daniel, Mirco
;
Epple, Matthias
;
Schaub, Jonas
;
Kuhn, Hubert
;
Zielesny, Achim
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
Rule-based in-silico Fragmentation for the Analysis of Natural Product Chemical Space
(2020)
Schaub, Jonas
;
Bänsch, Felix
;
Zielesny, Achim
;
Steinbeck, Christoph
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