Achim Zielesny

35 papers Journal 31Unranked 2

Year	Rank	Type	Title / Venue / Authors
2025	—	`conf`	Comparative Analysis of Chemical Structure String Representations for Neural Machine Translation. ICANN (5) Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
2025	J	`jnl`	PySSA for Windows: End-User Protein Structure Prediction and Visual Analysis with ColabFold and PyMOL. J. Chem. Inf. Model. Hannah Kullik, Martin Urban, Jonas Schaub, Angelika Loidl-Stahlhofen, Achim Zielesny
2024	J	`jnl`	Advancements in hand-drawn chemical structure recognition through an enhanced DECIMER architecture. J. Cheminformatics Kohulan Rajan, Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck
2024	J	`jnl`	An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package. J. Cheminformatics Felix Bänsch, Mirco Daniel, Harald Lanig, Christoph Steinbeck, Achim Zielesny
2024	J	`jnl`	STOUT V2.0: SMILES to IUPAC name conversion using transformer models. J. Cheminformatics Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
2023	J	`jnl`	MORTAR: a rich client application for in silico molecule fragmentation. J. Cheminformatics Felix Bänsch, Jonas Schaub, Betül Sevindik, Samuel Behr, Julian Zander, Christoph Steinbeck, Achim Zielesny
2023	J	`jnl`	Notes on molecular fragmentation and parameter settings for a dissipative particle dynamics study of a C J. Cheminformatics Felix Bänsch, Christoph Steinbeck, Achim Zielesny
2022	J	`jnl`	DECIMER - hand-drawn molecule images dataset. J. Cheminformatics Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck, Kohulan Rajan
2022	J	`jnl`	RanDepict: Random chemical structure depiction generator. J. Cheminformatics Henning Otto Brinkhaus, Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
2022	J	`jnl`	Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK). J. Cheminformatics Jonas Schaub, Julian Zander, Achim Zielesny, Christoph Steinbeck
2021	J	`jnl`	DECIMER 1.0: deep learning for chemical image recognition using transformers. J. Cheminformatics Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
2021	J	`jnl`	DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature. J. Cheminformatics Kohulan Rajan, Henning Otto Brinkhaus, Maria Sorokina, Achim Zielesny, Christoph Steinbeck
2021	J	`jnl`	Molecule Set Comparator (MSC): a CDK-based open rich-client tool for molecule set similarity evaluations. J. Cheminformatics Kohulan Rajan, Jan-Mathis Hein, Christoph Steinbeck, Achim Zielesny
2021	J	`jnl`	Quantitative Estimation of Cyclotide-Induced Bilayer Membrane Disruption by Lipid Extraction with Mesoscopic Simulation. J. Chem. Inf. Model. Karina van den Broek, Matthias Epple, Lisa Sophie Kersten, Hubert Kuhn, Achim Zielesny
2021	J	`jnl`	STOUT: SMILES to IUPAC names using neural machine translation. J. Cheminformatics Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
2020	J	`jnl`	A review of optical chemical structure recognition tools. J. Cheminformatics Kohulan Rajan, Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck
2020	J	`jnl`	DECIMER: towards deep learning for chemical image recognition. J. Cheminformatics Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
2020	J	`jnl`	MFsim - an open Java all-in-one rich-client simulation environment for mesoscopic simulation. J. Cheminformatics Karina van den Broek, Mirco Daniel, Matthias Epple, Jan-Mathis Hein, Hubert Kuhn, Stefan Neumann, Andreas Truszkowski, Achim Zielesny
2020	J	`jnl`	Too sweet: cheminformatics for deglycosylation in natural products. J. Cheminformatics Jonas Schaub, Achim Zielesny, Christoph Steinbeck, Maria Sorokina
2019	J	`jnl`	ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK). J. Cheminformatics Sebastian Fritsch, Stefan Neumann, Jonas Schaub, Christoph Steinbeck, Achim Zielesny
2018	J	`jnl`	Jdpd: an open java simulation kernel for molecular fragment dissipative particle dynamics. J. Cheminformatics Karina van den Broek, Hubert Kuhn, Achim Zielesny
2018	J	`jnl`	SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation. J. Cheminformatics Karina van den Broek, Mirco Daniel, Matthias Epple, Hubert Kuhn, Jonas Schaub, Achim Zielesny
2016	—	`book`	From Curve Fitting to Machine Learning - An Illustrative Guide to Scientific Data Analysis and Computational Intelligence, Second Edition Achim Zielesny
2015	J	`jnl`	Mesoscopic Simulation of Phospholipid Membranes, Peptides, and Proteins with Molecular Fragment Dynamics. J. Chem. Inf. Model. Andreas Truszkowski, Karina van den Broek, Hubert Kuhn, Achim Zielesny, Matthias Epple
2014	J	`jnl`	A molecular fragment cheminformatics roadmap for mesoscopic simulation. J. Cheminformatics Andreas Truszkowski, Mirco Daniel, Hubert Kuhn, Stefan Neumann, Christoph Steinbeck, Achim Zielesny, Matthias Epple
2014	J	`jnl`	Molecular fragment dynamics study on the water-air interface behavior of non-ionic polyoxyethylene alkyl ether surfactants. J. Cheminformatics Andreas Truszkowski, Annamaria Fiethen, Hubert Kuhn, Thomas Wiebringhaus, Achim Zielesny, Matthias Epple
2013	J	`jnl`	Molecular simulations of peptides and proteins with Molecular Fragment Dynamics (MFD). J. Cheminformatics Andreas Truszkowski, Annamaria Fiethen, Hubert Kuhn, Achim Zielesny, Matthias Epple
2012	J	`jnl`	Adsorption of amino acids on MFI-type zeolite: DFT calculations and experimental results. J. Cheminformatics Kai Stueckenschneider, Achim Zielesny, Gerhard Schembecker
2011	J	`jnl`	CDK-Taverna 2.0: migration and enhancements of an open-source pipelining solution. J. Cheminformatics Andreas Truszkowski, Stefan Neumann, Achim Zielesny, Egon L. Willighagen, Christoph Steinbeck
2011	—	`book`	From Curve Fitting to Machine Learning - An Illustrative Guide to Scientific Data Analysis and Computational Intelligence Achim Zielesny
2011	J	`jnl`	New developments on the cheminformatics open workflow environment CDK-Taverna. J. Cheminformatics Andreas Truszkowski, Kalai Vanii Jayaseelan, Stefan Neumann, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck
2010	J	`jnl`	CDK-Taverna: an open workflow environment for cheminformatics. BMC Bioinform. Thomas Kuhn, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck
2010	J	`jnl`	Molecular fragments chemoinformatics. J. Cheminformatics Hubert Kuhn, Stefan Neumann, Christoph Steinbeck, Carsten Wittekindt, Achim Zielesny
2005	J	`jnl`	Chemistry Software Package ChemOffice Ultra 2005. J. Chem. Inf. Model. Achim Zielesny
2003	—	`conf`	Iterative Rank based Methods for Clustering. CSB Sören W. Perrey, Heinrich Brinck, Achim Zielesny