Publications

Peer-reviewed research

25 publications · 2,397 citations

2025

  1. MARCUS: Molecular Annotation and Recognition for Curating Unravelled Structures

    Kohulan Rajan, V. Weißenborn, Laurin Lederer, et al.

    Digital Discovery 2025 2 citations

  2. Cheminformatics Microservice V3: a web portal for chemical structure manipulation and analysis

    Kohulan Rajan, Venkata Chandrasekhar, Nisha Sharma, et al.

    Journal of Cheminformatics 2025 2 citations

  3. Comparative Analysis of Chemical Structure String Representations for Neural Machine Translation

    Kohulan Rajan, A. Zielesny, C. Steinbeck

    International Conference on Artificial Neural Networks 2025 1 citation

2024

  1. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database

    Venkata Chandrasekhar, Kohulan Rajan, S. S. Kanakam, et al.

    Nucleic Acids Research 2024 131 citations

  2. Advancements in hand-drawn chemical structure recognition through an enhanced DECIMER architecture

    Kohulan Rajan, Henning Otto Brinkhaus, A. Zielesny, C. Steinbeck

    Journal of Cheminformatics 2024 10 citations

  3. STOUT V2.0: SMILES to IUPAC name conversion using transformer models

    Kohulan Rajan, A. Zielesny, C. Steinbeck

    Journal of Cheminformatics 2024 6 citations

2023

  1. Artificial Intelligence For Natural Product Drug Discovery

    M. Mullowney, Katherine R. Duncan, S. Elsayed, et al.

    Nature reviews. Drug discovery 2023 357 citations

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

    Kohulan Rajan, Henning Otto Brinkhaus, M. Agea, et al.

    Nature Communications 2023 82 citations

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

    Henning Otto Brinkhaus, Kohulan Rajan, J. Schaub, et al.

    Current Opinion in Structural Biology 2023 27 citations

  4. Cheminformatics Microservice: unifying access to open cheminformatics toolkits

    Venkata Chandrasekhar, Nisha Sharma, J. Schaub, et al.

    Journal of Cheminformatics 2023 10 citations

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

    Kohulan Rajan, Henning Otto Brinkhaus, M. Agea, et al.

    Nature Communications 2023 2 citations

2022

  1. SELFIES and the future of molecular string representations

    Mario Krenn, Qianxiang Ai, Senja Barthel, et al.

    Patterns 2022 265 citations

  2. DECIMER-hand-drawn molecule images dataset

    Henning Otto Brinkhaus, A. Zielesny, C. Steinbeck, Kohulan Rajan

    Journal of Cheminformatics 2022 23 citations

  3. RanDepict: Random chemical structure depiction generator

    Henning Otto Brinkhaus, Kohulan Rajan, A. Zielesny, C. Steinbeck

    Journal of Cheminformatics 2022 16 citations

2021

  1. DECIMER 1.0: deep learning for chemical image recognition using transformers

    Kohulan Rajan, A. Zielesny, C. Steinbeck

    Journal of Cheminformatics 2021 78 citations

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

    Kohulan Rajan, Henning Otto Brinkhaus, Maria Sorokina, et al.

    Journal of Cheminformatics 2021 30 citations

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

    Kohulan Rajan, C. Steinbeck, A. Zielesny

    Digital Discovery 2021 13 citations

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

    Kohulan Rajan, Jan-Mathis Hein, C. Steinbeck, A. Zielesny

    Journal of Cheminformatics 2021 1 citation

  5. DARLING: Deep leARning for chemicaL Information processinG

    Kohulan Rajan

    2021 0 citations

  6. DECIMER V1.0 Datasets

    Kohulan Rajan

    2021 0 citations

2020

  1. COCONUT online: Collection of Open Natural Products database

    Maria Sorokina, Peter Merseburger, Kohulan Rajan, et al.

    Journal of Cheminformatics 2020 533 citations

  2. DECIMER: towards deep learning for chemical image recognition

    Kohulan Rajan, A. Zielesny, C. Steinbeck

    Journal of Cheminformatics 2020 91 citations

  3. A review of optical chemical structure recognition tools

    Kohulan Rajan, Henning Otto Brinkhaus, A. Zielesny, C. Steinbeck

    Journal of Cheminformatics 2020 69 citations

  4. STOUT: SMILES to IUPAC names using neural machine translation

    Kohulan Rajan, A. Zielesny, C. Steinbeck

    Journal of Cheminformatics 2020 56 citations

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