Overview
Journal of Cheminformatics is a fully open access journal publishing original peer-reviewed research in all aspects of cheminformatics. Coverage includes, but is not limited to:
- chemical information systems, software and databases, and method development for molecular modelling
- chemical structure representations and their use in structure, substructure, and similarity searching of chemical substance and chemical reaction databases
- computer and molecular graphics, computer-aided molecular design, expert systems, QSAR, and data mining techniques
Journal of Cheminformatics is lead by an esteemed editorial team of global recognized scientists specializing in cheminformatics. The journal is well indexed by CAS, DOAJ, Scopus, SCIE, PubMed Central, etc.
- Editors-in-Chief
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- Karina Martinez-Mayorga BSc, PhD
- Barbara Zdrazil, Dr. rer. nat., Mag. pharm.
Journal metrics
- Journal Impact Factor
- 5.7 (2024)
- 5-year Journal Impact Factor
- 8.9 (2024)
- Submission to first decision (median)
- 10 days
- Downloads
- 2.3M (2025)
Journal highlights
Update
Featured collections
View the latest special collections of the journal: 1) Milestones in Cheminformatics 2) AI in Drug Discovery
Calls for papers
Collection
AI and XAI in Drug Discovery
This collection covers cutting-edge novel methodological contributions on the edge of machine learning and chemistry in the rapidly evolving area...
- Status
- Open for submissions
- Submission deadline
- 13 January 2027
Collection
Research from the 13th International Conference on Chemical Structures
The 13th International Conference on Chemical Structures (ICCS 2025) will take place on June 1-5, 2025, in Noordwijkerhout, The Netherlands, where...
- Status
- Open for submissions
- Submission deadline
- 30 June 2026
- Status
- Open for submissions
- Submission deadline
- Ongoing
Latest articles
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Learning a chemistry-aware latent space for molecular encoding and generation with a large-scale transformer variational autoencoder
- Hugo Talibart
- Dimitri Gilis
Research Open access 16 June 2026 -
Experimental dipole moment prediction with a progressive 2D–3D hybrid framework and twin-pair-based diagnostic evaluation
- Sadettin Y. Ugurlu
- Shan He
Research Open access 14 June 2026 -
CRUSH—Cleavage Rules Using SMIRKS Heuristics: an enhanced molecular fragmentation algorithm
- Edgar López-López
- José L. Medina-Franco
- Filip Miljković
Research Open access 13 June 2026 Article: 78 -
Benchmarking molecular representations and machine learning algorithms for asymmetric catalysis: a palladium-catalysed decarboxylative asymmetric allylic alkylation case study
- Eduardo Aguilar-Bejarano
- Declan Galvin
- Grazziela Figueredo
Research Open access 12 June 2026 -
MutAIverse: an AI-powered, mechanism-backed platform for discovering novel DNA adducts and their precursor genotoxins
- Shiva Satija
- Sanjay Kumar Mohanty
- Gaurav Ahuja
Methodology Open access 11 June 2026
Journal updates
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Featured collections
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Journal announcements
Here you can find news and announcements relating to the Journal of Cheminformatics.
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Journal information
- Electronic ISSN
- 1758-2946
- Abstracted and indexed in
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- Baidu
- CLOCKSS
- CNKI
- CNPIEC
- Chemical Abstracts Service (CAS)
- Chinese Academy of Medical Science (CAMS)
- DBLP
- DOAJ
- Dimensions
- EBSCO
- Gale
- GoOA - The Chinese Academy of Sciences (CAS)
- Google Scholar
- Japanese Science and Technology Agency (JST)
- Naver
- OCLC WorldCat Discovery Service
- Ovid Discovery
- Portico
- ProQuest
- PubMedCentral
- SCImago
- SCOPUS
- Science Citation Index Expanded (SCIE)
- Semantic Scholar
- TD Net Discovery Service
- Wanfang
- eLibrary.ru
- © Springer Nature Switzerland AG