TY - GEN A1 - Zielesny, Achim T1 - Computational Intelligence Packages (CIP) for Mathematica [Softwarecode, Version 3.1] Y1 - 2020 UR - https://github.com/zielesny/CIP/releases/tag/3.0 ER - TY - JOUR A1 - van den Broek, Karina A1 - Daniel, Mirco A1 - Epple, Matthias A1 - Hein, Jan-Mathis A1 - Kuhn, Hubert A1 - Neumann, Stefan A1 - Truszkowski, Andreas A1 - Zielesny, Achim T1 - MFsim — an open Java all-in-one rich-client simulation environment for mesoscopic simulation JF - Journal of Cheminformatics Y1 - 2020 U6 - https://doi.org/10.1186/s13321-020-00432-9 SN - 1758-2946 VL - 12 SP - 29 ER - TY - JOUR A1 - Rajan, Kohulan A1 - Zielesny, Achim A1 - Steinbeck, Christoph T1 - DECIMER: towards deep learning for chemical image recognition JF - Journal of Cheminformatics Y1 - 2020 U6 - https://doi.org/10.1186/s13321-020-00469-w IS - 12 SP - 65 ER - TY - JOUR A1 - Rajan, Kohulan A1 - Brinkhaus, Henning Otto A1 - Zielesny, Achim A1 - Steinbeck, Christoph T1 - A review of optical chemical structure recognition tools JF - Journal of Cheminformatics Y1 - 2020 U6 - https://doi.org/10.1186/s13321-020-00465-0 IS - 12 SP - 603 ER - TY - JOUR A1 - Schaub, Jonas A1 - Zielesny, Achim A1 - Steinbeck, Christoph A1 - Sorokina, Maria T1 - Too sweet: cheminformatics for deglycosylation in natural products JF - Journal of Cheminformatics Y1 - 2020 U6 - https://doi.org/10.1186/s13321-020-00467-y IS - 12 SP - 67 ER - TY - GEN A1 - Zielesny, Achim T1 - Molecule Set Compensator [Softwarecode, Version 1.0] Y1 - 2020 UR - https://github.com/zielesny/MSC/releases/tag/1.0 ER - TY - CHAP A1 - Schaub, Jonas A1 - Bänsch, Felix A1 - Zielesny, Achim A1 - Steinbeck, Christoph T1 - Rule-based in-silico Fragmentation for the Analysis of Natural Product Chemical Space T2 - Konferenz: 34th Molecular Modelling Workshop 2020, 17.-19. Februar 2020 in Erlangen Y1 - 2020 ER - TY - GEN A1 - Zielesny, Achim T1 - MFsim [Softwarecode, Version 2.2.4.0] Y1 - 2020 UR - https://github.com/zielesny/MFsim/releases/tag/2.2.4.0 ER - TY - CHAP A1 - Bänsch, Felix A1 - Daniel, Mirco A1 - Lanig, Harald A1 - Steinbeck, Christoph A1 - Zielesny, Achim T1 - A new Approach to DPD Repulsion Parameter Estimation T2 - Konferenz: 34th Molecular Modelling Workshop 2020, 17.-19. Februar 2020 in Erlangen Y1 - 2020 ER -