Journal of Chemical Information and Modeling

Aims & Scope

The Journal of Chemical Information and Modeling publishes papers reporting new methodology and/or important applications in the fields of chemical informatics and molecular modeling.

Specific topics include the representation and computer-based searching of chemical databases, molecular modeling, computer-aided molecular design of new materials, catalysts, or ligands, development of new computational methods or efficient algorithms for chemical software, and biopharmaceutical chemistry including analyses of biological activity and other issues related to drug discovery.

Astute chemists, computer scientists, and information specialists look to this monthly’s insightful research studies, programming innovations, and software reviews to keep current with advances in this integral, multidisciplinary field.

As a subscriber you’ll stay abreast of database search systems, use of graph theory in chemical problems, substructure search systems, pattern recognition and clustering, analysis of chemical and physical data, molecular modeling, graphics and natural language interfaces, bibliometric and citation analysis, and synthesis design and reactions databases.

View Aims & Scope

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Metrics & Ranking

Impact Factor

Year	Value
2025	5.3
2024	5.60

SJR (SCImago Journal Rank)

Year	Value
2024	1.467

Quartile

Year	Value
2024	Q1

h-index

Year	Value
2024	205

Journal Rank

Year	Value
2024	2494

Journal Citation Indicator

Year	Value
2024	11487

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Abstracting & Indexing

Journal is indexed in leading academic databases, ensuring global visibility and accessibility of our peer-reviewed research.

• Scopus
• Google Scholar
• Web of Science

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Subjects & Keywords

Journal’s research areas, covering key disciplines and specialized sub-topics in Chemical Engineering, Chemistry, Computer Science and Social Sciences, designed to support cutting-edge academic discovery.

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Most Cited Articles

The Most Cited Articles section features the journal's most impactful research, based on citation counts. These articles have been referenced frequently by other researchers, indicating their significant contribution to their respective fields.

• Extended-Connectivity Fingerprints

  Citation: 5820

  Authors: David, Mathew

• LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

  Citation: 5136

  Authors: Roman A., Mark B.

• AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings

  Citation: 4528

  Authors: Jerome, Diogo, Andreas F., Stefano

• <i>g_mmpbsa</i>—A GROMACS Tool for High-Throughput MM-PBSA Calculations

  Citation: 4154

  Authors: Rashmi, Rajendra, Andrew

• Basis Set Exchange:  A Community Database for Computational Sciences

  Citation: 2862

  Authors: Karen L., Brett T., Todd, Lisong, Vidhya, Jared, Jun, Theresa L.

• ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

  Citation: 2855

  Authors: John J., Brian K.

• ZINC 15 – Ligand Discovery for Everyone

  Citation: 2635

  Authors: Teague, John J.

• Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

  Citation: 2258

  Authors: Tingjun, Junmei, Youyong, Wei

• ZINC: A Free Tool to Discover Chemistry for Biology

  Citation: 2048

  Authors: John J., Teague, Michael M., Erin S., Ryan G.

• New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community

  Citation: 1837

  Authors: Benjamin P., Doaa, Brett, Tara D., Theresa L.

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