Jonas Schaub

According to our database, Jonas Schaub authored at least 7 papers between 2018 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Cheminformatics Microservice: unifying access to open cheminformatics toolkits.

Venkata Chandrasekhar, Nisha Sharma, Jonas Schaub, Christoph Steinbeck, Kohulan Rajan

J. Cheminformatics, December, 2023

MORTAR: a rich client application for in silico molecule fragmentation.

Felix Bänsch, Jonas Schaub, Betül Sevindik, Samuel Behr, Julian Zander, Christoph Steinbeck, Achim Zielesny

J. Cheminformatics, 2023

2022

Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK).

Jonas Schaub, Julian Zander, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2022

An algorithm to classify homologous series within compound datasets.

Adelene Lai, Jonas Schaub, Christoph Steinbeck, Emma Schymanski

J. Cheminformatics, 2022

2020

Too sweet: cheminformatics for deglycosylation in natural products.

Jonas Schaub, Achim Zielesny, Christoph Steinbeck, Maria Sorokina

J. Cheminformatics, 2020

2019

ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK).

Sebastian Fritsch, Stefan Neumann, Jonas Schaub, Christoph Steinbeck, Achim Zielesny

J. Cheminformatics, 2019

2018

SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation.

Karina van den Broek, Mirco Daniel, Matthias Epple, Hubert Kuhn, Jonas Schaub, Achim Zielesny

J. Cheminformatics, 2018