Journal of Chemical Information and Modeling

期刊简介：The Journal of Chemical Information and Modeling (JCIM) publishes papers reporting new methodologies in chemical informatics and molecular modeling and its applications with experimental validation. Specific topics include the representation and computer-based searching of chemical databases, molecular modeling, computer simulation using molecular dynamics and free energy methods, machine learning on chemical and biological data, combined quantum mechanical/molecular mechanical (QM/MM) multi-scale simulations, 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. JCIM will not consider straightforward applications of molecular docking methods to a single target system without adequate experimental validation.Chemists, computer scientists, and information specialists look to JCIM for insightful research studies, programming innovations, reviews, perspectives, and viewpoints to keep current with advances in this integral, multidisciplinary field.As a member of this community – author, reader, or reviewer -- you’ll stay abreast of advances and applications in molecular modeling, developments in multi-scale modeling, use of mathematical theory and computer science techniques in chemical problems, substructure search systems, pattern recognition, and clustering, analysis of chemical and physical data, database search systems, graphics, and natural language interfaces, bibliometric and citation analysis, and synthesis design, and reaction databases.

【译文】《化学信息与建模杂志》（JCIM）发表关于化学信息学和分子建模新方法及其实验验证的论文。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、使用分子动力学和自由能方法的计算机模拟、化学和生物数据的机器学习、结合量子力学/分子力学（QM/MM）的多尺度模拟、计算机辅助的新材料、催化剂或配体的分子设计、开发新的计算方法或高效的化学软件算法、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问题。JCIM不会考虑没有充分实验验证的将分子对接方法直接应用于单一目标系统的简单应用。化学家、计算机科学家和信息专家寻求JCIM的深入研究成果、编程创新、评论、观点，以跟上这一重要、多学科领域的最新进展。作为这个社区的一员——作者、读者或审稿人——您将了解分子建模、多尺度建模的发展、数学理论和计算机科学技术在化学问题中的应用、子结构搜索系统、模式识别和聚类、化学和物理数据分析、数据库搜索系统、图形和自然语言界面、文献计量和引文分析、合成设计和反应数据库的进展和应用。