Jonas Schaub

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 7

Top Topics

Synthetic And Real Life Datasets

Development Kit

Fully Functional

Top Venues

J. Cheminformatics

Publications

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) (2023)
Venkata Chandrasekhar, Nisha Sharma, Jonas Schaub, Christoph Steinbeck, Kohulan Rajan
Cheminformatics Microservice: unifying access to open cheminformatics toolkits. J. Cheminformatics 15 (1) (2023)
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) (2022)
Adelene Lai, Jonas Schaub, Christoph Steinbeck, Emma Schymanski
An algorithm to classify homologous series within compound datasets. J. Cheminformatics 14 (1) (2022)
Jonas Schaub, Achim Zielesny, Christoph Steinbeck, Maria Sorokina
Too sweet: cheminformatics for deglycosylation in natural products. J. Cheminformatics 12 (1) (2020)
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) (2019)
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) (2018)