Academic Journal
Q1Journal of Cheminformatics
About Journal of Cheminformatics
Journal of Cheminformatics is a scholarly journal published by BioMed Central Ltd. SCImago 2025 lists it in Q1, with an SJR of 1.355 and H-index of 101.
Coverage: 2009-2026. Research categories: Computer Graphics and Computer-Aided Design (Q1); Computer Science Applications (Q1); Library and Information Sciences (Q1); Physical and Theoretical Chemistry (Q1).
Open-access policies and author information
Reported in the official DOAJ public CSV snapshot (2026-09-01), downloaded 2026-10-03. Record updated 2026-03-17. This snapshot does not establish today’s listing status or fee quotation.
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Source-backed journal facts
Topics in published research
Computational Drug Discovery Methods; Machine Learning in Materials Science; Protein Structure and Dynamics; Metabolomics and Mass Spectrometry Studies; Analytical Chemistry and Chromatography; Biomedical Text Mining and Ontologies.
OpenAlex classifies topics from published works. These topics are not the publisher’s official aims and scope.
Source: OpenAlex source record. Retrieved 2026-10-03. Source record updated 2026-10-02. OpenAlex metrics are different from SCImago metrics and the Clarivate Journal Impact Factor.
Journal Metrics
Quartile, SJR and the listed SCImago H-index use the 2025 imported SCImago dataset. A quartile may vary by subject category. Values without a source or reporting year are unverified historical entries. Verify the current Journal Impact Factor with Clarivate or the publisher before using it.
Aims & Scope
The publisher’s official aims and scope have not yet been verified for this profile. Use the journal website to check subject fit and accepted article types before submitting.
Recent Research Articles
Latest publications matched automatically by ISSN.
Benchmarking descriptor-based AI approaches for predicting the BBB permeability of drug-like xenobiotics
Nicolina Sciaraffa, Martina Valentino, Maria Rita Gulotta, Claudia Coronnello et al.
2026-09-25 · DOI: 10.1186/s13321-026-01309-zCorrection: Scaffold‑based evaluation metrics for fair comparison of molecular generators
Valeriia Fil, Remco L. Van Den Broek, Martin Šicho, Ivan Čmelo et al.
2026-09-24 · DOI: 10.1186/s13321-026-01304-4Integrating multi-criteria decision-making and machine learning for fingerprint selection and virtual screening of Acetylcholinesterase inhibitors
Moruf Adedeji Adeagbo, Waliyullah Abefe Ibrahim, Sabrina de Azevedo Silveira
2026-09-23 · DOI: 10.1186/s13321-026-01300-8A general deep learning method based on substrate information for genome-scale mining of natural product biosynthetic enzymes
Yangyang Li, Yuntong Feng, Zhiqiang Wei, Xiangzhao Mao et al.
2026-09-23 · DOI: 10.1186/s13321-026-01307-1Anyone Can Dock: an online molecular docking tool for everyone
Kowit Hengphasatporn, Thanthapatra Bunchuay, Lian Duan, Yasuteru Shigeta et al.
2026-09-23 · DOI: 10.1186/s13321-026-01306-2ncAA-RepDistill: a chemistry-native SMILES representation for permeability prediction and local edit ranking of non-canonical cyclic peptides
Qiule Yu, Zhixing Zhang, Xiang Li, Weihua Li et al.
2026-09-22 · DOI: 10.1186/s13321-026-01311-5LIDR-TB: large language model-integrated platform for traceable drug repurposing in tuberculosis
ShanShan Hu, Song Jie, Amin Ullah, Jiajia Dong et al.
2026-09-18 · DOI: 10.1186/s13321-026-01305-3DockM8: an all-in-one open-source platform for consensus virtual screening in drug design
Antoine Lacour, Hamza Agha, Anna K. H. Hirsch, Andrea Volkamer et al.
2026-09-18 · DOI: 10.1186/s13321-026-01287-2Analysis of structural errors in the AlphaFold DB v4 and v6
Lukáš Bohuš, Tomáš Svoboda, Ondřej Schindler
2026-09-18 · DOI: 10.1186/s13321-026-01285-4Per-residue optimisation of protein structures: rapid alternative to local optimisation with constrained alpha carbons
Ondřej Schindler, Tomáš Svoboda, Gabriela Bučeková, Radka Svobodová et al.
2026-09-17 · DOI: 10.1186/s13321-026-01303-5G-screen: scalable protein-aware virtual screening through flexible ligand alignment
Nuri Jung, Hahnbeom Park, Jinsol Yang, Chaok Seok et al.
2026-09-16 · DOI: 10.1186/s13321-026-01297-0patRoon 3.0: enhanced non-target analysis workflows with ion mobility separation and other major improvements
Rick Helmus, Jan C. Specker, Christine Gallampois, Emma L. Schymanski et al.
2026-09-15 · DOI: 10.1186/s13321-026-01302-6Pharmacophore model guided 3D molecular generation through diffusion model
Bohao Li, Xinyu Wu, Ting Ran, Jingpeng Zhong et al.
2026-09-09 · DOI: 10.1186/s13321-026-01298-zBONAFIDE: a Python framework for the calculation of local features for atoms and bonds in molecules
Lukas M. Sigmund, Michele Assante, Matthew Ball, Mikhail Kabeshov et al.
2026-09-09 · DOI: 10.1186/s13321-026-01283-6MarkitS: an image-to-SMILES parsing workflow for Markush structures
Kun-Lin Tsai, Yi-Chen Lin, Feng-Chi Chen
2026-09-07 · DOI: 10.1186/s13321-026-01301-7HSSynergy: scale-aware hierarchical attention for interpretable drug synergy prediction
Yue-Hua Feng, Shu-Cong Zhang, Xiao-Ying Yan, Jian-Yu Shi et al.
2026-09-04 · DOI: 10.1186/s13321-026-01293-4Open-source DNA-encoded library informatics package for design, decoding, and analysis: DELi
James Wellnitz, Brandon Novy, Shu-Hang Lin, Travis Maxfield et al.
2026-09-04 · DOI: 10.1186/s13321-026-01296-1I2M: a box-based detection framework for molecular structure recognition from images
Bowen Tang, Jing Peng, Tong Wu, WenFan Wu et al.
2026-09-03 · DOI: 10.1186/s13321-026-01290-7CEMP: an online cheminformatics platform for clean energy materials
Jifeng Wang, Jiazhe Ju, Ying Wang
2026-09-01 · DOI: 10.1186/s13321-026-01295-2Research EnzyPred: a general model for predicting enzyme–substrate interactions using deep learning, parallel LoRA, and, natural language processing-inspired approaches
Luis Fernando Salas Nuñez, Alvaro Barrera-Ocampo, Paola A. Caicedo, Natalie Cortes et al.
2026-08-25 · DOI: 10.1186/s13321-026-01282-7Reviews
Community Reviews
Version History
September 25, 2026 at 7:32 am
September 25, 2026