The Journal of Cheminformatics is a peer-reviewed open access scientific journal that covers cheminformatics and molecular modelling. It was established...
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prominent Springer journal in the field was founded by transatlantic executive editors named the Journal of Cheminformatics. Cheminformatics combines the scientific...
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Peter Murray-Rust (category Members of the University of Cambridge Department of Chemistry)
Open Standards in chemistry: The Blue Obelisk five years on". Journal of Cheminformatics. 3 (1): 37. doi:10.1186/1758-2946-3-37. PMC 3205042. PMID 21999342...
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International Chemical Identifier (category Pages that use a deprecated format of the chem tags)
reactions (RInChI)". Journal of Cheminformatics. 10 (1): 45. doi:10.1186/s13321-018-0277-8. PMC 4015173. PMID 24152584. Downloads of InChI Software, accessed...
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Cheminformatics toolkits are notable software development kits that allow cheminformaticians to develop custom computer applications for use in virtual...
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conversion of Chemical file formats and manage molecular data. It serves as a chemical expert system, widely used in fields such as cheminformatics, molecular...
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standard". Journal of Cheminformatics. 5 (1): 7. doi:10.1186/1758-2946-5-7. PMC 3599061. PMID 23343401. Warr, Wendy A. (2011). "Representation of chemical...
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for drug discovery? A comparison study of descriptor-based and graph-based models". Journal of Cheminformatics. 13 (1): 12. doi:10.1186/s13321-020-00479-8...
45 KB (4,454 words) - 12:37, 25 May 2025
Dashboard: a community data resource for environmental chemistry". Journal of Cheminformatics. 9 (1): 61. doi:10.1186/s13321-017-0247-6. PMC 5705535. PMID 29185060...
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Chemical database (category Cheminformatics)
Explorer: Substructure and similarity searching of molecules from Wikipedia". Journal of Cheminformatics. 7: 10. doi:10.1186/s13321-015-0061-y. PMC 4374119...
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Society of Pakistan Journal of Chemical Thermodynamics Journal of Cheminformatics Journal of Chemometrics Journal of Chromatographic Science Journal of Chromatography...
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Frère Jacques (category Year of song unknown)
"Efficient ring perception for the Chemistry Development Kit". Journal of Cheminformatics. 6 (3): 3. doi:10.1186/1758-2946-6-3. PMC 3922685. PMID 24479757...
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Computational Biology Journal of Cases on Information Technology Journal of Chemical Information and Modeling Journal of Cheminformatics Journal of Circuits, Systems...
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(2016). "Badapple: promiscuity patterns from noisy evidence". Journal of Cheminformatics. 8: 29. doi:10.1186/s13321-016-0137-3. PMC 4884375. PMID 27239230...
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Computational Chemistry List (category Wikipedia articles published in Journal of Cheminformatics)
the Web and hype…": a brief history of and tribute to the Computational Chemistry List". Journal of Cheminformatics. 10 (1): 67. doi:10.1186/S13321-018-0322-7...
12 KB (1,656 words) - 17:41, 10 May 2024
PubChem (category National Institutes of Health)
programmatic access to chemical annotations integrated in PubChem". Journal of Cheminformatics. 11 (1): 56. doi:10.1186/s13321-019-0375-2. PMC 6688265. PMID 31399858...
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Substructure search (category Cheminformatics)
belongs to the most elementary tasks in cheminformatics and is nowadays part of virtually every cheminformatics software". The first suggested use for...
29 KB (3,237 words) - 17:10, 20 June 2025
ChemSpider (category Royal Society of Chemistry)
"Automatic vs. Manual curation of a multi-source chemical dictionary: The impact on text mining". Journal of Cheminformatics. 2 (1): 3. doi:10.1186/1758-2946-2-3...
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"Efficient ring perception for the Chemistry Development Kit", Journal of Cheminformatics, 6 (3): 3, doi:10.1186/1758-2946-6-3, PMC 3922685, PMID 24479757...
14 KB (1,749 words) - 17:12, 27 May 2025
Chemical Markup Language (category Cheminformatics)
Murray-Rust, Peter; Rzepa, Henry S (2011). "CML: Evolution and design". Journal of Cheminformatics. 3 (1): 44. doi:10.1186/1758-2946-3-44. PMC 3205047. PMID 21999549...
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Chemical graph generator (category Cheminformatics)
representations of chemical structures adhering to certain boundary conditions. The development of such software packages is a research topic of cheminformatics. Chemical...
28 KB (5,049 words) - 19:09, 26 September 2024
Chemical similarity (category Cheminformatics)
(among others). The notion of chemical similarity (or molecular similarity) is one of the most important concepts in cheminformatics. It plays an important...
8 KB (849 words) - 05:28, 26 May 2025
the Web and hype…": a brief history of and tribute to the Computational Chemistry List". Journal of Cheminformatics. 10 (1): 67. doi:10.1186/s13321-018-0322-7...
15 KB (1,744 words) - 20:11, 23 June 2025
Chemistry Development Kit (category Pages calling infobox journal with no website parameter)
Willighagen, E. L. (2013). "Applications of the InChI in cheminformatics with the CDK and Bioclipse". Journal of Cheminformatics. 5 (1): 14. doi:10.1186/1758-2946-5-14...
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"Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints". Journal of Cheminformatics. 7. doi:10.1186/s13321-014-0051-5...
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Molecular descriptor (category Cheminformatics)
Takagi, T. (2018). Mordred: A molecular descriptor calculator. Journal of Cheminformatics, 10(1), 1–14. https://doi.org/10.1186/s13321-018-0258-y Yap, C...
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several hundred thousand compounds mined from PATENTS". Journal of Cheminformatics. 8: 2. doi:10.1186/s13321-016-0113-y. PMC 4724158. PMID 26807157. Model[permanent...
27 KB (3,071 words) - 00:03, 25 May 2025
BioMed Central (redirect from Journal of Ethnobiology and Ethnomedicine)
Egon (2021-06-11), Conflict of Interest. Or why I am stepping down as Editor-in-Chief of the Journal of Cheminformatics., doi:10.5281/ZENODO.4926031...
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(2021-01-10). "Profiling and analysis of chemical compounds using pointwise mutual information". Journal of Cheminformatics. 13 (1): 3. doi:10.1186/s13321-020-00483-y...
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Natural product (redirect from List of natural product drugs)
"Review on natural products databases: where to find data in 2020". Journal of Cheminformatics. 12 (1): 20. doi:10.1186/s13321-020-00424-9. PMC 7118820. PMID 33431011...
116 KB (12,419 words) - 08:43, 9 June 2025