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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- Barbara Zdrazil,
- Rajarshi Guha
- Associate Editors
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- Gian Marco Ghiandoni,
- Karina Martínez-Mayorga,
- Eva Nittinger,
- Antonella Di Pizio,
- Yufeng Jane Tseng
Journal metrics
- Journal Impact Factor
- 5.7 (2024)
- 5-year Journal Impact Factor
- 8.9 (2024)
- Submission to first decision (median)
- 9 days
- Downloads
- 1.6M (2024)
Journal highlights
Update
Featured collections
View the latest special collections of the journal: 1) Milestones in Cheminformatics; 2) AI in Drug Discovery.
Article
How to crack a SMILES: automatic crosschecked chemical structure resolution across multiple services using MoleculeResolver
Abstract Accurate chemical structure resolution from textual identifiers such as names and CAS RN® is critical for computational modeling in chemistry and related fields. This p…
Calls for papers
Collection
Evaluating AI and machine learning models in cheminformatics: benchmarking techniques and case studies
Journal of Cheminformatics is inviting submissions for a collection on "Evaluating AI and machine learning models in cheminformatics: benchmarking...
- Status
- Open for submissions
- Submission deadline
- 16 January 2026
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
- 01 March 2026
Latest articles
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Multi-MoleScale: a multi-scale approach for molecular property prediction with graph contrastive and sequence learning
- Xinpo Lou
- Jianxiu Cai
- Shirley W. I. Siu
Research Open access 06 December 2025 -
Ionization efficiency prediction of electrospray ionization mass spectrometry analytes based on molecular fingerprints and cumulative neutral losses
- Alexandros Nikolopoulos
- Denice van Herwerden
- Saer Samanipour
Research Open access 06 December 2025 -
NOCTIS: open-source toolkit that turns reaction data into actionable graph networks
- Nataliya Lopanitsyna
- Marta Pasquini
- Marco Stenta
Software Open access 04 December 2025 -
The consolidation of open-source computer-assisted chemical synthesis data into a comprehensive database
- Haris Hasic
- Takashi Ishida
Database Open access 04 December 2025 -
DeepRNA-DTI: a deep learning approach for RNA-compound interaction prediction with binding site interpretability
- Haelee Bae
- Hojung Nam
Research Open access 02 December 2025
Journal updates
-
Featured collections
View the latest special collections of the journal:
1) Milestones in Cheminformatics;
2) AI in Drug Discovery.
-
Journal announcements
Here you can find news and announcements relating to the Journal of Cheminformatics.
Benefit from our free funding service
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Latest Tweets
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Journal information
- Electronic ISSN
- 1758-2946
- Abstracted and indexed in
-
- Baidu
- CLOCKSS
- CNKI
- CNPIEC
- Chemical Abstracts Service (CAS)
- 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
- Portico
- ProQuest
- PubMedCentral
- SCImago
- SCOPUS
- Science Citation Index Expanded (SCIE)
- Semantic Scholar
- TD Net Discovery Service
- Wanfang
- eLibrary.ru
- © Springer Nature Switzerland AG