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Schaub, Jonas (4)
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2019
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2023
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Conference Proceeding (4)
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Institut für biologische und chemische Informatik
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Westfälisches Institut für Gesundheit
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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
MORTAR - An open rich-client framework for in silico molecule fragmentation
(2022)
Bänsch, Felix
;
Schaub, Jonas
;
Steinbeck, Christoph
;
Zielesny, Achim
MORTAR – A Rich Client Application for in silico Molecule Fragmentation
(2023)
Bänsch, Felix
;
Schaub, Jonas
;
Sevindik, Betül
;
Behr, Samuel
;
Zander, Julian
;
Steinbeck, Christoph
;
Zielesny, Achim
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