All fields · Computational Theory and Mathematics

JournalQ1· SCImago 2025

Journal of Chemical Information and Modeling

ISSN 1549-9596

• Q1Quartile
• 1.00SJR
• 219h-index
• 21papers summarised

About this journal

Journal of Chemical Information and Modeling is a Q1 journal by SCImago Journal Rank (2025 data), with an SJR of 1.00 and an h-index of 219. Most of its papers in the Pofolia pool fall under Computational Theory and Mathematics. Pofolia holds AI summaries of 21 paper(s) from this journal; the most cited is “AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings” (6839 citations).

The quartile (Q1–Q4) is the journal's percentile position within its subject area by SCImago Journal Rank; Q1 is the top 25%. What is a Q1 journal? · What is the h-index?

Most-cited papers in Computational Theory and Mathematics →

Papers we summarise from this journal

• AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings2021 · 6839 citations
• <i>g_mmpbsa</i>—A GROMACS Tool for High-Throughput MM-PBSA Calculations2014 · 4822 citations
• ZINC 15 – Ligand Discovery for Everyone2015 · 3401 citations
• ZINC: A Free Tool to Discover Chemistry for Biology2012 · 2576 citations
• New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community2019 · 2314 citations
• admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties2012 · 2225 citations
• DataWarrior: An Open-Source Program For Chemistry Aware Data Visualization And Analysis2015 · 1832 citations
• Analyzing Learned Molecular Representations for Property Prediction2019 · 1808 citations
• Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-172012 · 1554 citations
• Quantum Mechanics/Molecular Mechanics Simulations on NVIDIA and AMD Graphics Processing Units2023 · 51 citations
• Speak to a Protein: An Interactive Multimodal Co-Scientist for Protein Analysis2026 · 2 citations
• Subpocket-Aware Fragment-Based Docking Pipeline for Kinase Ligand Design: Methodology and a PKA Case Study2026 · 1 citations
• Computer-Aided Drug Design for Type 2 Diabetes-Related Enzymes: SILCS-Based Fragment Mapping, Pharmacophore Modeling, and Virtual Screening2026 · 1 citations
• In-Context Molecular Property Prediction with LLMs: A Blinding Study on Memorization and Knowledge Conflicts2026 · 1 citations
• CDGA: A Host-Based Alignment and Descriptor Analysis Tool for Cyclodextrin Inclusion Complexes2026 · 1 citations
• Measuring AI Progress in Drug Discovery: A Reproducible Leaderboard for the Tox21 Challenge2026 · 1 citations
• ThermoLIB─A Python Library for Constructing and Post-Processing Free-Energy Surfaces to Extract Thermodynamic and Kinetic Properties2026 · 1 citations
• Antimicrobial Peptide Databases and Prediction Tools: Toward a Standard Evaluation Framework2026 · 0 citations
• From Random Splits to Unseen Solvents: Quantum-Chemistry-Derived Surface Descriptors Improve Solubility Prediction2026 · 0 citations
• Language of Toxicity: An eXplainable Artificial Intelligence Approach2026 · 0 citations
• CoTAR: Topology and Atomic State Reconstruction in Condensed Phases2026 · 0 citations

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