Achim Zielesny

According to our database, Achim Zielesny authored at least 30 papers between 2003 and 2023.

Collaborative distances:

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

2023

Notes on molecular fragmentation and parameter settings for a dissipative particle dynamics study of a C₁₀E₄/water mixture with lamellar bilayer formation.

Felix Bänsch, Christoph Steinbeck, Achim Zielesny

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

DECIMER - hand-drawn molecule images dataset.

Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck, Kohulan Rajan

J. Cheminformatics, 2022

RanDepict: Random chemical structure depiction generator.

Henning Otto Brinkhaus, Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2022

2021

Quantitative Estimation of Cyclotide-Induced Bilayer Membrane Disruption by Lipid Extraction with Mesoscopic Simulation.

Karina van den Broek, Matthias Epple, Lisa Sophie Kersten, Hubert Kuhn, Achim Zielesny

J. Chem. Inf. Model., 2021

DECIMER 1.0: deep learning for chemical image recognition using transformers.

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2021

STOUT: SMILES to IUPAC names using neural machine translation.

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2021

Molecule Set Comparator (MSC): a CDK-based open rich-client tool for molecule set similarity evaluations.

Kohulan Rajan, Jan-Mathis Hein, Christoph Steinbeck, Achim Zielesny

J. Cheminformatics, 2021

DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature.

Kohulan Rajan, Henning Otto Brinkhaus, Maria Sorokina, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2021

2020

Too sweet: cheminformatics for deglycosylation in natural products.

Jonas Schaub, Achim Zielesny, Christoph Steinbeck, Maria Sorokina

J. Cheminformatics, 2020

DECIMER: towards deep learning for chemical image recognition.

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2020

A review of optical chemical structure recognition tools.

Kohulan Rajan, Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2020

MFsim - an open Java all-in-one rich-client simulation environment for mesoscopic simulation.

Karina van den Broek, Mirco Daniel, Matthias Epple, Jan-Mathis Hein, Hubert Kuhn, Stefan Neumann, Andreas Truszkowski, Achim Zielesny

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

Jdpd: an open java simulation kernel for molecular fragment dissipative particle dynamics.

Karina van den Broek, Hubert Kuhn, Achim Zielesny

J. Cheminformatics, 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

2016

From Curve Fitting to Machine Learning - An Illustrative Guide to Scientific Data Analysis and Computational Intelligence, Second Edition

Achim Zielesny

Intelligent Systems Reference Library 109, Springer, ISBN: 978-3-319-32545-3, 2016

2015

Mesoscopic Simulation of Phospholipid Membranes, Peptides, and Proteins with Molecular Fragment Dynamics.

Andreas Truszkowski, Karina van den Broek, Hubert Kuhn, Achim Zielesny, Matthias Epple

J. Chem. Inf. Model., 2015

2014

Molecular fragment dynamics study on the water-air interface behavior of non-ionic polyoxyethylene alkyl ether surfactants.

Andreas Truszkowski, Annamaria Fiethen, Hubert Kuhn, Thomas Wiebringhaus, Achim Zielesny, Matthias Epple

J. Cheminformatics, 2014

A molecular fragment cheminformatics roadmap for mesoscopic simulation.

Andreas Truszkowski, Mirco Daniel, Hubert Kuhn, Stefan Neumann, Christoph Steinbeck, Achim Zielesny, Matthias Epple

J. Cheminformatics, 2014

2013

Molecular simulations of peptides and proteins with Molecular Fragment Dynamics (MFD).

Andreas Truszkowski, Annamaria Fiethen, Hubert Kuhn, Achim Zielesny, Matthias Epple

J. Cheminformatics, 2013

2012

Adsorption of amino acids on MFI-type zeolite: DFT calculations and experimental results.

Kai Stueckenschneider, Achim Zielesny, Gerhard Schembecker

J. Cheminformatics, 2012

2011

From Curve Fitting to Machine Learning - An Illustrative Guide to Scientific Data Analysis and Computational Intelligence

Achim Zielesny

Intelligent Systems Reference Library 18, Springer, ISBN: 978-3-642-21279-6, 2011

CDK-Taverna 2.0: migration and enhancements of an open-source pipelining solution.

Andreas Truszkowski, Stefan Neumann, Achim Zielesny, Egon L. Willighagen, Christoph Steinbeck

J. Cheminformatics, 2011

New developments on the cheminformatics open workflow environment CDK-Taverna.

Andreas Truszkowski, Kalai Vanii Jayaseelan, Stefan Neumann, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2011

2010

Molecular fragments chemoinformatics.

Hubert Kuhn, Stefan Neumann, Christoph Steinbeck, Carsten Wittekindt, Achim Zielesny

J. Cheminformatics, 2010

CDK-Taverna: an open workflow environment for cheminformatics.

Thomas Kuhn, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck

BMC Bioinform., 2010

2005

Chemistry Software Package ChemOffice Ultra 2005.

Achim Zielesny

J. Chem. Inf. Model., 2005

2003

Iterative Rank based Methods for Clustering.

Sören W. Perrey, Heinrich Brinck, Achim Zielesny

Proceedings of the 2nd IEEE Computer Society Bioinformatics Conference, 2003