Search filters

List of works by Jonas Schaub

An algorithm to classify homologous series within compound datasets

scientific article published on 13 December 2022

Cheminformatics Microservice: unifying access to open cheminformatics toolkits

scientific article published on 16 October 2023

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

scientific article published on 04 June 2019

MORTAR: a rich client application for in silico molecule fragmentation

scientific article published on 2 January 2023

Open data and algorithms for open science in AI-driven molecular informatics

scientific article published in 2023

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

scientific article published on 09 August 2018

Scaffold Generator - A Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK)

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

scientific article published on 10 November 2022

Too sweet: cheminformatics for deglycosylation in natural products

scientific article published on 04 November 2020

Paulina is supported by:

About Paulina

Help