A. Zielesny

发表

DECIMER: towards deep learning for chemical image recognition

C. Steinbeck, K. Rajan, A. Zielesny, 2020, Journal of Cheminformatics.

DECIMER—hand-drawn molecule images dataset

Henning Otto Brinkhaus, C. Steinbeck, K. Rajan, 2022, Journal of Cheminformatics.

Notes on the Treatment of Charged Particles for Studying Cyclotide/Membrane Interactions with Dissipative Particle Dynamics

C. Steinbeck, A. Zielesny, Felix Bänsch, 2022, Membranes.

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

Lisa Sophie Kersten, M. Epple, A. Zielesny, 2021, J. Chem. Inf. Model..

Description and Analysis of Glycosidic Residues in the Largest Open Natural Products Database

C. Steinbeck, Maria Sorokina, A. Zielesny, 2021, bioRxiv.

DECIMER—hand-drawn molecule images dataset

Henning Otto Brinkhaus, C. Steinbeck, A. Zielesny, 2022, Journal of Cheminformatics.

STOUT: SMILES to IUPAC names using neural machine translation

C. Steinbeck, A. Zielesny, Kohulan Rajan, 2020, Journal of Cheminformatics.

Too sweet: cheminformatics for deglycosylation in natural products

C. Steinbeck, Maria Sorokina, A. Zielesny, 2020, Journal of Cheminformatics.

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

C. Steinbeck, A. Zielesny, Jonas Schaub, 2022, Journal of Cheminformatics.

Geometric, electronic and NMR properties of hemicucurbit[n]urils and their anionic complexes

A. Zielesny, H. Buschmann, 2013 .

Creating chemo- & bioinformatics workflows, further developments within the CDK-Taverna Project

C. Steinbeck, A. Zielesny, T. Kuhn, 2008, Chemistry Central Journal.

Creating chemo- and bioinformatics workflows, further developments within the CDK-Taverna Project

C. Steinbeck, A. Zielesny, T. Kuhn, 2009 .

Structure, Stability, Electronic Properties and NMR-Shielding of the Cucurbit[6]uril–Spermine-Complex

A. Wego, E. Schollmeyer, A. Zielesny, 2006 .

Structure, Electronic Properties and NMR-Shielding of Cucurbit[n]urils

A. Wego, E. Schollmeyer, A. Zielesny, 2006 .

MORTAR: a rich client application for in silico molecule fragmentation

C. Steinbeck, A. Zielesny, Felix Bänsch, 2023, J. Cheminformatics.

Hemicucurbit[6]uril a Macrocyclic Ligand with Unusual Complexing Properties

E. Schollmeyer, A. Zielesny, H. Buschmann, 2006 .

New developments on the cheminformatics open workflow environment CDK-Taverna

Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck, 2011, J. Cheminformatics.

Viscosity and diffusivity of a binary liquid mixture of critical composition: Study of the system 2-butoxyethanol/water

A. Zielesny, D. Woermann, J. Schmitz, 1994 .

Ultrasonic absorption of nitrobenzene–isooctane mixtures of non-critical composition

A. Zielesny, D. Woermann, 1995 .

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

Henning Otto Brinkhaus, C. Steinbeck, A. Zielesny, 2023, Current opinion in structural biology.

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

Achim Zielesny, Hubert Kuhn, Karina van den Broek, 2018, Journal of Cheminformatics.

A molecular fragment cheminformatics roadmap for mesoscopic simulation

Achim Zielesny, Christoph Steinbeck, Hubert Kuhn, 2014, Journal of Cheminformatics.

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

Achim Zielesny, A. Zielesny, 2011, Intelligent Systems Reference Library.

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

Achim Zielesny, Christoph Steinbeck, Sebastian Fritsch, 2019, Journal of Cheminformatics.

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

Achim Zielesny, Matthias Epple, Hubert Kuhn, 2015, J. Chem. Inf. Model..

CDK-Taverna: an open workflow environment for cheminformatics

Egon L. Willighagen, Thomas Kuhn, Achim Zielesny, 2010, BMC Bioinformatics.

Chemistry Software Package ChemOffice Ultra 2005

Achim Zielesny, A. Zielesny, 2005, J. Chem. Inf. Model..

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

Achim Zielesny, A. Zielesny, 2016, Intelligent Systems Reference Library.

11th German Conference on Chemoinformatics (GCC 2015)

Timothy Clark, Jonathan W. Essex, Peter Kolb, 2016, J. Cheminformatics.

Crossover behaviour and critical amplitude of the viscosity of binary liquid mixtures of critical composition

A. Zielesny, D. Woermann, 1994 .

DECIMER 1.0: deep learning for chemical image recognition using transformers

Christoph Steinbeck, K Rajan, A Zielesny, 2021, Journal of Cheminformatics.

A review of optical chemical structure recognition tools

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck, 2020, Journal of Cheminformatics.

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

Achim Zielesny, Hubert Kuhn, Karina van den Broek, 2018, Journal of Cheminformatics.

DECIMER 1.0: deep learning for chemical image recognition using transformers

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck, 2021, Journal of Cheminformatics.

DECIMER.ai: an open platform for automated optical chemical structure identification, segmentation and recognition in scientific publications

Henning Otto Brinkhaus, C. Steinbeck, A. Zielesny, 2023, Nature communications.

RanDepict: Random chemical structure depiction generator

Henning Otto Brinkhaus, C. Steinbeck, A. Zielesny, 2022, Journal of Cheminformatics.

Performance of chemical structure string representations for chemical image recognition using transformers

C. Steinbeck, A. Zielesny, Kohulan Rajan, 2021, Digital Discovery.

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

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck, 2021, Journal of Cheminformatics.

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

C. Steinbeck, A. Zielesny, Kohulan Rajan, 2021, Journal of Cheminformatics.

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

M. Epple, A. Zielesny, H. Kuhn, 2015, J. Chem. Inf. Model..

DECIMER: towards deep learning for chemical image recognition

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck, 2020, Journal of Cheminformatics.