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Journal of Chemical Information and Modeling
ISSN：1549-9596

Journal of Chemical Information and Modeling

J. Chem. Inf. Model.
学科领域：化学
是否预警：不在预警名单内
是否OA：是
录用周期：约3.0个月
新锐分区：化学2区
年发文量：735
影响因子：5.3
JCR分区：Q1

基本信息

《化学信息与建模杂志》发表报告化学信息学和分子建模领域新方法和/或重要应用的论文。具体主题包括化学数据库的表示和基于计算机的搜索、分子建模、新材料、催化剂或配体的计算机辅助分子设计、化学软件的新计算方法或有效算法的开发以及生物制药化学，包括生物活性分析和与药物发现相关的其他问题。和信息专家期待着这个月刊的有见地的研究，编程创新，软件评论，以保持当前的进展，在这个完整的，多学科的领域。作为一个订户，你会保持最新的数据库搜索系统，使用图论在化学问题，子结构搜索系统，模式识别和聚类、化学和物理数据分析、分子建模、图形和自然语言界面、文献计量和引文分析以及合成设计和反应数据库。
1549-9596SCIE/Scopus收录
5.3
点击查看最新影响趋势>
6.1
新
2026年3月发布
点击查看历史分区趋势    >
大类学科小类学科Top期刊综述期刊
化学2区
CHEMISTRY, MEDICINAL 药物化学
2区
CHEMISTRY, MULTIDISCIPLINARY 化学：综合
2区
COMPUTER SCIENCE, INFORMATION SYSTEMS 计算机：信息系统
3区
COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS 计算机：跨学科应用
3区
是
N/A
新
WOS期刊SCI分区  2024-2025最新升级版
按JIF指标学科分区收集子录JIF分区JIF排名百分位
学科：CHEMISTRY, MEDICINAL
SCIE
Q1
15/72
学科：CHEMISTRY, MULTIDISCIPLINARY
SCIE
Q2
65/239
学科：COMPUTER SCIENCE, INFORMATION SYSTEMS
SCIE
Q1
46/258
学科：COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS
SCIE
Q1
37/177
按JCR指标学科分区收集子录JCR分区JCR排名百分位
学科：CHEMISTRY, MEDICINAL
SCIE
Q1
11/72
学科：CHEMISTRY, MULTIDISCIPLINARY
SCIE
Q1
40/241
学科：COMPUTER SCIENCE, INFORMATION SYSTEMS
SCIE
Q1
47/258
学科：COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS
SCIE
Q1
39/177
142
735
点击查看年发文量趋势图>
12%很难约3.0个月-化学-化学综合
11.3%
点击查看自引率趋势图>
时间预警情况
2026年03月发布的新锐学术版不在预警名单中
2025年03月发布的2025版不在预警名单中
2024年02月发布的2024版不在预警名单中
2023年01月发布的2023版不在预警名单中
2021年12月发布的2021版不在预警名单中
2020年12月发布的2020版不在预警名单中
97.55%24.99%0.82%
CiteScore：9.80
SJR：1.467
SNIP：1.497
学科类别分区排名百分位
大类：Social Sciences
小类：Library and Information Sciences
Q1
23 / 287
大类：Social Sciences
小类：General Chemical Engineering
Q1
37 / 274
大类：Social Sciences
小类：Computer Science Applications
Q1
129 / 947
大类：Social Sciences
小类：General Chemistry
Q1
57 / 404

期刊高被引文献

New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00725
AGL-Score: Algebraic Graph Learning Score for Protein-Ligand Binding Scoring, Ranking, Docking, and Screening
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00334
Prediction of CYP450 Enzyme-Substrate Selectivity Based on the Network-Based Label Space Division Method
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00749
Identifying Structure-Property Relationships through SMILES Syntax Analysis with Self-Attention Mechanism
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00803
Graph Convolutional Neural Networks for Predicting Drug-Target Interactions
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00628
PACKMOL-Memgen: A Simple-To-Use, Generalized Workflow for Membrane-Protein-Lipid-Bilayer System Building
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00269
Imputation of Assay Bioactivity Data Using Deep Learning
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00768
AUTOSURF: A Freely Available Program To Construct Potential Energy Surfaces
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00784
Mechanisms Underlying Allosteric Molecular Switches of Metabotropic Glutamate Receptor 5
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00924
Machine Learning Prediction of H Adsorption Energies on Ag Alloys
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00657
FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00376
DAKB-GPCRs: An Integrated Computational Platform for Drug Abuse Related GPCRs
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00623
Interpretation of QSAR Models by Coloring Atoms According to Changes in Predicted Activity: How Robust Is It?
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00825
A Distance-Based Boolean Applicability Domain for Classification of High Throughput Screening Data
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00499
Random Forest Refinement of Pairwise Potentials for Protein-Ligand Decoy Detection
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00356
How Can Interleukin-1 Receptor Antagonist Modulate Distinct Cell Death Pathways?
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00565
Doping Effects on the Performance of Paired Metal Catalysts for the Hydrogen Evolution Reaction
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00179
Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00371
Deep Transferable Compound Representation across Domains and Tasks for Low Data Drug Discovery
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00626
Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00744
Machine Learning Guided Atom Mapping of Metabolic Reactions
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00434
A Multiscale Model for the Self-Assembly of Coat Proteins in Bacteriophage MS2
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00514
Rational Use of Heterogeneous Data in Quantitative Structure-Activity Relationship (QSAR) Modeling of Cyclooxygenase/Lipoxygenase Inhibitors
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00617
Molecular Modeling Investigation of the Interaction between Humicola insolens Cutinase and SDS Surfactant Suggests a Mechanism for Enzyme Inactivation
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00857
A New Class of Superhalogen Based Anion Receptor in Li-Ion Battery Electrolytes
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00035
Energetic Fingerprinting of Ligand Binding to Paralogous Proteins: The Case of the Apoptotic Pathway
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00765
Computational Prediction of Site of Metabolism for UGT-Catalyzed Reactions
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00851
Chemical Insight on Decreased Sensitivity of CL-20/TNT Cocrystal Revealed by ReaxFF MD Simulations
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00952
Isomerization and Decomposition of 2-Methylfuran with External Forces
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00352
Validation of the Generalized Force Fields GAFF, CGenFF, OPLS-AA, and PRODRGFF by Testing Against Experimental Osmotic Coefficient Data for Small Drug-Like Molecules
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00552
Molecular Insights into the Substrate-Assisted Mechanism of Viral DNA 3′-End Processing in Intasome of Prototype Foamy Virus Integrase from Molecular Dynamic and QM/MM Studies
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00276
Development of New Methods Needs Proper Evaluation - Benchmarking Sets for Machine Learning Experiments for Class A GPCRs
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00689
Effects of Single Nucleotide Polymorphisms on the Binding of Afatinib to EGFR: A Potential Patient Stratification Factor Revealed by Modeling Studies
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00491
Influence of the Structural Accuracy of Homology Models on Their Applicability to Docking-Based Virtual Screening: The β2 Adrenergic Receptor as a Case Study
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00380
Molecular Dynamics Simulations of Substrate Release from Trypanosoma cruzi UDP-Galactopyranose Mutase
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00675
Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening
来源期刊：Journal of Chemical Information and ModelingDOI：10.1021/acs.jcim.8b00779
Enhanced Sampling Simulations of Ligand Unbinding Kinetics Controlled by Protein Conformational Changes
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00523
How to Model Inter- and Intramolecular Hydrogen Bond Strengths with Quantum Chemistry
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00132
Computational Prediction of a New ADMET Endpoint for Small Molecules: Anticommensal Effect on Human Gut Microbiota
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00600
EncoderMap(II): Visualizing Important Molecular Motions with Improved Generation of Protein Conformations
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00675
Fantastic Liquids and Where To Find Them: Optimizations of Discrete Chemical Space
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00087
Theoretical Investigation of the Structural Characteristics in the Active State of Akt1 Kinase
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00506
Molecular Mechanism Regarding Allosteric Modulation of Ligand Binding and the Impact of Mutations on Dimerization for CCR5 Homodimer
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00850
Effects of Metal Ions on Aβ42 Peptide Conformations from Molecular Simulation Studies
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00098
Strong Enrichment of Aromatic and Sulfur-Containing Residues in Ligand-Protein Binding Sites
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00582
Unsupervised Classification of G-Protein Coupled Receptors and Their Conformational States Using IChem Intramolecular Interaction Patterns
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00054
Quasiclassical Correlation Functions from the Wigner Density Using the Stability Matrix
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00081
Multilabel and Missing Label Methods for Binary Quantitative Structure-Activity Relationship Models: An Application for the Prediction of Adverse Drug Reactions
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00611
Probing the Functional Topology of a pH-Dependent Triple Helix DNA Nanoswitch Family through Gaussian Accelerated MD Simulation
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.9b00133
The Necessity of d-Thr in the New Antibiotic Teixobactin: A Molecular Dynamics Study
来源期刊：Journal of chemical information and modelingDOI：10.1021/acs.jcim.8b00949

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影响因子：3.8
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论文发表 2-4个月录用 7500+文章录用 不成功可退款
新
2026年3月发布（新锐分区）
大类学科小类学科Top期刊综述期刊
化学2区
CHEMISTRY, MEDICINAL 药物化学
2区
CHEMISTRY, MULTIDISCIPLINARY 化学：综合
2区
COMPUTER SCIENCE, INFORMATION SYSTEMS 计算机：信息系统
3区
COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS 计算机：跨学科应用
3区
是
N/A
2025年3月升级版
大类学科小类学科Top期刊综述期刊
化学2区
CHEMISTRY, MULTIDISCIPLINARY 化学：综合
2区
CHEMISTRY, MEDICINAL 药物化学
3区
COMPUTER SCIENCE, INFORMATION SYSTEMS 计算机：信息系统
3区
COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS 计算机：跨学科应用
3区
是
否
2023年12月旧的升级版
大类学科小类学科Top期刊综述期刊
化学2区
CHEMISTRY, MEDICINAL 药物化学
2区
CHEMISTRY, MULTIDISCIPLINARY 化学：综合
2区
COMPUTER SCIENCE, INFORMATION SYSTEMS 计算机：信息系统
3区
COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS 计算机：跨学科应用
3区
是
否