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ORCIDJonas Schaub
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2020 – today
- 2023
[j7]Felix Bänsch
, Jonas Schaub, Betül Sevindik, Samuel Behr, Julian Zander, Christoph Steinbeck, Achim Zielesny:
MORTAR: a rich client application for in silico molecule fragmentation. J. Cheminformatics 15(1): 1 (2023)- [j6]Venkata Chandrasekhar, Nisha Sharma, Jonas Schaub, Christoph Steinbeck, Kohulan Rajan:
Cheminformatics Microservice: unifying access to open cheminformatics toolkits. J. Cheminformatics 15(1): 98 (2023) - 2022
- [j5]Jonas Schaub, Julian Zander, Achim Zielesny, Christoph Steinbeck:
Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK). J. Cheminformatics 14(1): 79 (2022) - [j4]Adelene Lai, Jonas Schaub, Christoph Steinbeck, Emma Schymanski:
An algorithm to classify homologous series within compound datasets. J. Cheminformatics 14(1): 85 (2022) - 2020
- [j3]Jonas Schaub, Achim Zielesny, Christoph Steinbeck, Maria Sorokina:
Too sweet: cheminformatics for deglycosylation in natural products. J. Cheminformatics 12(1): 67 (2020)
2010 – 2019
- 2019
- [j2]Sebastian Fritsch, Stefan Neumann, Jonas Schaub, Christoph Steinbeck, Achim Zielesny:
ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK). J. Cheminformatics 11(1): 37:1-37:8 (2019) - 2018
- [j1]Karina van den Broek, Mirco Daniel, Matthias Epple, Hubert Kuhn, Jonas Schaub, Achim Zielesny:
SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation. J. Cheminformatics 10(1): 35:1-35:10 (2018)
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