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Kohulan Rajan
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COCONUT online: collection of open natural products database
M Sorokina, P Merseburger, K Rajan, MA Yirik, C Steinbeck
Journal of Cheminformatics 13 (1), 2, 2021
3052021
SELFIES and the future of molecular string representations
M Krenn, Q Ai, S Barthel, N Carson, A Frei, NC Frey, P Friederich, ...
Patterns 3 (10), 2022
812022
DECIMER: towards deep learning for chemical image recognition
K Rajan, A Zielesny, C Steinbeck
Journal of Cheminformatics 12 (1), 65, 2020
672020
A review of optical chemical structure recognition tools
K Rajan, HO Brinkhaus, A Zielesny, C Steinbeck
Journal of Cheminformatics 12, 1-13, 2020
542020
DECIMER 1.0: deep learning for chemical image recognition using transformers
K Rajan, A Zielesny, C Steinbeck
Journal of Cheminformatics 13, 1-16, 2021
492021
STOUT: SMILES to IUPAC names using neural machine translation
K Rajan, A Zielesny, C Steinbeck
Journal of Cheminformatics 13 (1), 34, 2021
452021
Artificial intelligence for natural product drug discovery
MW Mullowney, KR Duncan, SS Elsayed, N Garg, JJJ van der Hooft, ...
Nature Reviews Drug Discovery 22 (11), 895-916, 2023
282023
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
182021
DECIMER—hand-drawn molecule images dataset
HO Brinkhaus, A Zielesny, C Steinbeck, K Rajan
Journal of Cheminformatics 14 (1), 36, 2022
132022
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
102023
RanDepict: Random chemical structure depiction generator
HO Brinkhaus, K Rajan, A Zielesny, C Steinbeck
Journal of Cheminformatics 14 (1), 31, 2022
92022
Performance of chemical structure string representations for chemical image recognition using transformers
K Rajan, C Steinbeck, A Zielesny
Digital Discovery 1 (2), 84-90, 2022
92022
Open data and algorithms for open science in AI-driven molecular informatics
HO Brinkhaus, K Rajan, J Schaub, A Zielesny, C Steinbeck
Current Opinion in Structural Biology 79, 102542, 2023
82023
Molecule Set Comparator (MSC): a CDK-based open rich‐client tool for molecule set similarity evaluations
K Rajan, JM Hein, C Steinbeck, A Zielesny
Journal of Cheminformatics 13, 1-5, 2021
12021
Advancements in Hand-Drawn Chemical Structure Recognition through an Enhanced DECIMER Architecture
K Rajan, HO Brinkhaus, A Zielesny, C Steinbeck
2024
Cheminformatics Microservice: unifying access to open cheminformatics toolkits
V Chandrasekhar, N Sharma, J Schaub, C Steinbeck, K Rajan
Journal of Cheminformatics 15 (1), 98, 2023
2023
Structural Biology
HO Brinkhaus, K Rajan, J Schaub, A Zielesny, C Steinbeck
Current Opinion in Structural Biology 79, 102542, 2023
2023
Author Correction: 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, 2023
2023
Digital Discovery
K Rajan
2022
DARLING: Deep leARning for chemicaL Information processinG
K Rajan
Dissertation, Jena, Friedrich-Schiller-Universität Jena, 2021, 2021
2021
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