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Books and Theses
- 2016
[b2]Achim Zielesny:
From Curve Fitting to Machine Learning - An Illustrative Guide to Scientific Data Analysis and Computational Intelligence, Second Edition. Intelligent Systems Reference Library 109, Springer 2016, ISBN 978-3-319-32544-6, pp. 1-435- 2011
- [b1]Achim Zielesny:
From Curve Fitting to Machine Learning - An Illustrative Guide to Scientific Data Analysis and Computational Intelligence. Intelligent Systems Reference Library 18, Springer 2011, ISBN 978-3-642-21279-6, pp. 1-408
Journal Articles
- 2024
- [j29]Kohulan Rajan, Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck
:
Advancements in hand-drawn chemical structure recognition through an enhanced DECIMER architecture. J. Cheminformatics 16(1): 78 (2024) - [j28]Felix Bänsch, Mirco Daniel, Harald Lanig, Christoph Steinbeck, Achim Zielesny:
An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package. J. Cheminformatics 16(1): 96 (2024) - 2023
- [j27]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): 1 (2023) - [j26]Felix Bänsch, Christoph Steinbeck, Achim Zielesny:
Notes on molecular fragmentation and parameter settings for a dissipative particle dynamics study of a C10E4/water mixture with lamellar bilayer formation. J. Cheminformatics 15(1): 23 (2023) - 2022
- [j25]Henning Otto Brinkhaus, Kohulan Rajan, Achim Zielesny, Christoph Steinbeck:
RanDepict: Random chemical structure depiction generator. J. Cheminformatics 14(1): 31 (2022) - [j24]Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck, Kohulan Rajan:
DECIMER - hand-drawn molecule images dataset. J. Cheminformatics 14(1): 36 (2022) - [j23]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): 79 (2022) - 2021
- [j22]Kohulan Rajan, Jan-Mathis Hein, Christoph Steinbeck, Achim Zielesny:
Molecule Set Comparator (MSC): a CDK-based open rich-client tool for molecule set similarity evaluations. J. Cheminformatics 13(1): 5 (2021) - [j21]Kohulan Rajan, Henning Otto Brinkhaus, Maria Sorokina, Achim Zielesny, Christoph Steinbeck:
DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature. J. Cheminformatics 13(1): 20 (2021) - [j20]Kohulan Rajan, Achim Zielesny, Christoph Steinbeck:
STOUT: SMILES to IUPAC names using neural machine translation. J. Cheminformatics 13(1): 34 (2021) - [j19]Kohulan Rajan, Achim Zielesny, Christoph Steinbeck:
DECIMER 1.0: deep learning for chemical image recognition using transformers. J. Cheminformatics 13(1): 61 (2021) - [j18]Karina van den Broek, Matthias Epple, Lisa Sophie Kersten, Hubert Kuhn, Achim Zielesny:
Quantitative Estimation of Cyclotide-Induced Bilayer Membrane Disruption by Lipid Extraction with Mesoscopic Simulation. J. Chem. Inf. Model. 61(6): 3027-3040 (2021) - 2020
- [j17]Karina van den Broek, Mirco Daniel, Matthias Epple, Jan-Mathis Hein, Hubert Kuhn, Stefan Neumann, Andreas Truszkowski, Achim Zielesny:
MFsim - an open Java all-in-one rich-client simulation environment for mesoscopic simulation. J. Cheminformatics 12(1): 29 (2020) - [j16]Kohulan Rajan, Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck:
A review of optical chemical structure recognition tools. J. Cheminformatics 12(1): 60 (2020) - [j15]Kohulan Rajan, Achim Zielesny, Christoph Steinbeck:
DECIMER: towards deep learning for chemical image recognition. J. Cheminformatics 12(1): 65 (2020) - [j14]Jonas Schaub, Achim Zielesny, Christoph Steinbeck, Maria Sorokina:
Too sweet: cheminformatics for deglycosylation in natural products. J. Cheminformatics 12(1): 67 (2020) - 2019
- [j13]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): 37:1-37:8 (2019) - 2018
- [j12]Karina van den Broek, Hubert Kuhn, Achim Zielesny:
Jdpd: an open java simulation kernel for molecular fragment dissipative particle dynamics. J. Cheminformatics 10(1): 25 (2018) - [j11]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): 35:1-35:10 (2018) - 2015
- [j10]Andreas Truszkowski, Karina van den Broek, Hubert Kuhn, Achim Zielesny, Matthias Epple:
Mesoscopic Simulation of Phospholipid Membranes, Peptides, and Proteins with Molecular Fragment Dynamics. J. Chem. Inf. Model. 55(5): 983-997 (2015) - 2014
- [j9]Andreas Truszkowski, Mirco Daniel, Hubert Kuhn, Stefan Neumann, Christoph Steinbeck, Achim Zielesny, Matthias Epple:
A molecular fragment cheminformatics roadmap for mesoscopic simulation. J. Cheminformatics 6(1): 45 (2014) - [j8]Andreas Truszkowski, Annamaria Fiethen, Hubert Kuhn, Thomas Wiebringhaus, Achim Zielesny, Matthias Epple:
Molecular fragment dynamics study on the water-air interface behavior of non-ionic polyoxyethylene alkyl ether surfactants. J. Cheminformatics 6(S-1): 9 (2014) - 2013
- [j7]Andreas Truszkowski, Annamaria Fiethen, Hubert Kuhn, Achim Zielesny, Matthias Epple:
Molecular simulations of peptides and proteins with Molecular Fragment Dynamics (MFD). J. Cheminformatics 5(S-1): 4 (2013) - 2012
- [j6]Kai Stueckenschneider, Achim Zielesny, Gerhard Schembecker:
Adsorption of amino acids on MFI-type zeolite: DFT calculations and experimental results. J. Cheminformatics 4(S-1): 38 (2012) - 2011
- [j5]Andreas Truszkowski, Stefan Neumann, Achim Zielesny, Egon L. Willighagen, Christoph Steinbeck:
CDK-Taverna 2.0: migration and enhancements of an open-source pipelining solution. J. Cheminformatics 3(S-1): 5 (2011) - [j4]Andreas Truszkowski, Kalai Vanii Jayaseelan, Stefan Neumann, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck:
New developments on the cheminformatics open workflow environment CDK-Taverna. J. Cheminformatics 3: 54 (2011) - 2010
- [j3]Thomas Kuhn, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck:
CDK-Taverna: an open workflow environment for cheminformatics. BMC Bioinform. 11: 159 (2010) - [j2]Hubert Kuhn, Stefan Neumann, Christoph Steinbeck, Carsten Wittekindt, Achim Zielesny:
Molecular fragments chemoinformatics. J. Cheminformatics 2(S-1): 14 (2010) - 2005
- [j1]Achim Zielesny:
Chemistry Software Package ChemOffice Ultra 2005. J. Chem. Inf. Model. 45(5): 1474-1477 (2005)
Conference and Workshop Papers
- 2003
- [c1]Sören W. Perrey, Heinrich Brinck, Achim Zielesny:
Iterative Rank based Methods for Clustering. CSB 2003: 478-479
Coauthor Index
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