Journal of Chemical Information and Modeling

Journal of Chemical Information and Modeling (commonly abbreviated as J. Chem. Inf. Model.) is a peer-reviewed journal published by the American Chemical Society, with a lineage reaching back to 1961, issued twenty-four times a year and recorded in the United States. It concentrates on the representation and retrieval of chemical information together with molecular modelling, and is the longest established specialist title in cheminformatics.《化学信息与建模杂志》（Journal of Chemical Information and Modeling，常用缩写为 J. Chem. Inf. Model.）是由美国化学会出版的同行评审学术期刊，刊脉可溯至 1961 年，现为每年二十四期的半月刊，注册地为美国。该刊专注化学信息的表示、检索与分子建模，是化学信息学方向历史最久的专业刊物。

Scope

Journal of Chemical Information and Modeling holds that a method must be rerunnable by someone else once they have the data, requiring papers to give data sets, implementation and evaluation protocol rather than reporting only a score above the previous best. Its principal subject areas include:Journal of Chemical Information and Modeling 的取稿立场是「方法要能被别人拿到数据后重跑一遍」，要求论文给出数据集、实现与评测口径，而非只报一个优于既有方法的分数。收文范围覆盖的主要方向包括：

• Quantitative structure-activity relations: descriptors and feature engineering, construction of regression and classification models, and applicability domain with uncertainty estimation.定量构效关系： 描述符与特征工程、回归与分类模型的构建、适用域与不确定性估计。
• Docking and scoring: docking algorithms and search strategies, design and comparison of scoring functions, and treatment of protein flexibility and water effects.分子对接与打分： 对接算法与搜索策略、打分函数的设计与比较、蛋白柔性与水效应的处理。
• Machine learning applications: graph neural networks and molecular representation learning, generative models with molecular design, and interpretability with data splitting.机器学习应用： 图神经网络与分子表示学习、生成模型与分子设计、模型可解释性与数据划分。
• Molecular simulation: force fields and free energy calculation, molecular dynamics with enhanced sampling, and coarse-grained and multiscale methods.分子模拟： 力场与自由能计算、分子动力学与增强采样、粗粒化与多尺度方法。
• Chemical data and retrieval: chemical databases and structure standardisation, extraction and curation of reaction data, and semantic web with data interoperability.化学数据与检索： 化学数据库与结构标准化、反应数据的抽取与治理、语义网与数据互操作。

Research articles and reviews predominate, joined by technical notes and viewpoints, and a statement on availability of data and code is required, since papers without implementation detail are commonly asked to supply it.稿件类型以研究论文与综述为主，兼收技术短讯与观点文章；本刊明确要求数据与代码的可获取性说明，缺少实现细节的稿件通常被要求补作。

History

• Lineage (1961): the line reaches back to the Journal of Chemical Documentation begun in 1961, when the storage and retrieval of chemical information was moving from card cabinets to machine-readable catalogues.刊脉起点（1961年）： 本刊的谱系上溯至 1961 年创刊的《化学文献杂志》，其时化学信息的存储与检索正从卡片柜转向机读目录。
• First renaming (1975): the title became the Journal of Chemical Information and Computer Sciences in 1975, reflecting that computational method had moved from aiding retrieval to being part of chemical research itself.首次改名（1975年）： 1975 年刊物更名为《化学信息与计算机科学杂志》，反映计算机方法已由辅助检索变为化学研究本身的组成部分。
• Second renaming (2005): the present name was adopted from volume 45 in January 2005, numbering continuing from the predecessor, with computer sciences replaced by modelling to mark the shift of emphasis from information handling to molecular modelling.再次改名（2005年）： 2005 年 1 月自第 45 卷起改用现名，卷号承接前身，把「计算机科学」换为「建模」以标明重心由信息处理转向分子建模。
• Frequency: issues were sparse at first, later tightening to twelve a year and in recent years expanding to twenty-four, in step with the growth in submissions.刊期演变： 本刊早年刊期较疏，其后加密为每年十二期的月刊，近年进一步扩为每年二十四期，以适应投稿量的增长。
• Metric trend: the impact factor rose from 3.8 in 2017 to 6.2 in 2021, fell back to between 5.3 and 5.6 across 2023 and 2024, and recovered to 6.4 in 2025.指标走势： 影响因子自 2017 年的 3.8 上升至 2021 年的 6.2，2023 至 2024 年回落至 5.3 至 5.6，2025 年回升至 6.4。

Editors

An editor-in-chief directs the journal with a board drawn from cheminformatics, computational chemistry and drug design, with industrial researchers holding a substantial share, and manuscripts arrive through the society's shared submission system. Neither the publisher nor the board publishes an acceptance rate or review duration for the title.本刊由主编统筹并设编委会，成员来自化学信息学、计算化学与药物设计诸方向，工业界研究者亦占相当比例；稿件经学会统一的在线系统投递。出版方与编委会均未公布本刊的录用比例与审稿时长。

• Data and code: the office treats data splitting and evaluation protocol as central to review, and papers comparing on a single benchmark without external validation are often asked for more.数据与代码： 编辑部把数据划分与评测口径视为评审重点，仅在同一数据集上比较而不作外部验证的稿件常被要求补作。
• Rigour of evaluation: standards for baselines in model comparison are strict, and papers with weak baselines or ill-chosen metrics struggle in review.评测严谨性： 本刊对模型比较的基线设置要求严格，基线设置过弱或指标选择不当的稿件难以通过评审。
• Positioning of methods: methods carrying chemical explanatory power are preferred, and purely algorithmic improvements detached from chemical questions are often advised to go to computing venues.方法定位： 本刊偏好有化学解释力的方法，纯算法改进而与化学问题脱节的稿件常被建议改投计算机刊物。