| From curve fitting to machine learning A Zielesny Springer, 2011 | 81 | 2011 |
| CDK-Taverna: an open workflow environment for cheminformatics T Kuhn, EL Willighagen, A Zielesny, C Steinbeck Bmc Bioinformatics 11, 1-11, 2010 | 70 | 2010 |
| DECIMER: towards deep learning for chemical image recognition K Rajan, A Zielesny, C Steinbeck Journal of Cheminformatics 12 (1), 65, 2020 | 68 | 2020 |
| A review of optical chemical structure recognition tools K Rajan, HO Brinkhaus, A Zielesny, C Steinbeck Journal of Cheminformatics 12, 1-13, 2020 | 55 | 2020 |
| DECIMER 1.0: deep learning for chemical image recognition using transformers K Rajan, A Zielesny, C Steinbeck Journal of Cheminformatics 13, 1-16, 2021 | 51 | 2021 |
| Hemicucurbit [6] uril a macrocyclic ligand with unusual complexing properties HJ Buschmann, A Zielesny, E Schollmeyer Journal of inclusion phenomena and macrocyclic chemistry 54, 181-185, 2006 | 47 | 2006 |
| STOUT: SMILES to IUPAC names using neural machine translation K Rajan, A Zielesny, C Steinbeck Journal of Cheminformatics 13 (1), 34, 2021 | 45 | 2021 |
| Viscosity and diffusivity of a binary liquid mixture of critical composition: Study of the system 2-butoxyethanol/water A Zielesny, J Schmitz, S Limberg, AG Aizpiri, S Fusenig, D Woermann International journal of thermophysics 15, 67-94, 1994 | 41 | 1994 |
| Structure, stability, electronic properties and NMR-shielding of the cucurbit [6] uril–spermine-complex HJ Buschmann, A Wego, A Zielesny, E Schollmeyer Journal of inclusion phenomena and macrocyclic chemistry 54, 241-246, 2006 | 39 | 2006 |
| New developments on the cheminformatics open workflow environment CDK-Taverna A Truszkowski, KV Jayaseelan, S Neumann, EL Willighagen, A Zielesny, ... Journal of cheminformatics 3, 1-10, 2011 | 34 | 2011 |
| Structure, electronic properties and NMR-shielding of cucurbit [n] urils HJ Buschmann, A Wego, A Zielesny, E Schollmeyer Journal of inclusion phenomena and macrocyclic chemistry 54, 85-88, 2006 | 32 | 2006 |
| Crossover behaviour and critical amplitude of the viscosity of binary liquid mixtures of critical composition A Zielesny, D Woermann Journal of the Chemical Society, Faraday Transactions 90 (15), 2215-2222, 1994 | 30 | 1994 |
| Chemistry Software Package ChemOffice Ultra 2005 A Zielesny Journal of Chemical Information and Modeling 45 (5), 1474-1477, 2005 | 27 | 2005 |
| Static light scattering experiments with non‐ionic surfactant/water mixtures of critical composition A Zielesny, L Belkoura, D Woermann Berichte der Bunsengesellschaft für physikalische Chemie 98 (4), 579-584, 1994 | 25 | 1994 |
| Molecular fragment dynamics study on the water–air interface behavior of non-ionic polyoxyethylene alkyl ether surfactants A Truszkowski, M Epple, A Fiethen, A Zielesny, H Kuhn Journal of colloid and interface science 410, 140-145, 2013 | 23 | 2013 |
| Too sweet: cheminformatics for deglycosylation in natural products J Schaub, A Zielesny, C Steinbeck, M Sorokina Journal of Cheminformatics 12 (1), 67, 2020 | 21 | 2020 |
| DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature K Rajan, HO Brinkhaus, M Sorokina, A Zielesny, C Steinbeck Journal of Cheminformatics 13, 1-9, 2021 | 18 | 2021 |
| Mesoscopic simulation of phospholipid membranes, peptides, and proteins with molecular fragment dynamics A Truszkowski, K van den Broek, H Kuhn, A Zielesny, M Epple Journal of Chemical Information and Modeling 55 (5), 983-997, 2015 | 14 | 2015 |
| DECIMER—hand-drawn molecule images dataset HO Brinkhaus, A Zielesny, C Steinbeck, K Rajan Journal of Cheminformatics 14 (1), 36, 2022 | 13 | 2022 |
| DECIMER. ai: an open platform for automated optical chemical structure identification, segmentation and recognition in scientific publications K Rajan, HO Brinkhaus, MI Agea, A Zielesny, C Steinbeck Nature communications 14 (1), 5045, 2023 | 12 | 2023 |
