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ChemicalBook >> journal list>> Journal of Chemical Information and Modeling
Journal of Chemical Information and Modeling

Journal of Chemical Information and Modeling

IF:5.3 CiteScore:9.8 Articles:529
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.

Discovery of Potent Covalent CRM1 Inhibitors Via a Customized Structure-Based Virtual Screening Pipeline and Bioassays

Published: 14 October 2024 DOI: 10.1021/acs.jcim.4c00913
He Liu,?Chao Shen,?Haonan Li,?Tingjun Hou,?Yongliang Yang

Network-Based Methods and Their Applications in Drug Discovery

Published: 27 December 2023 DOI: 10.1021/acs.jcim.3c01613
Zhuohang Yu, Zengrui Wu, Ze Wang, Yimeng Wang, Moran Zhou, Weihua Li, Guixia Liu and Yun Tang*, 

Structure-Based Discovery of a Novel Allosteric Inhibitor against Human Dopamine Transporter

Published: 6 July 2023 DOI: 10.1021/acs.jcim.3c00477
Shengzhe Deng, Haiwei Zhang*, Rongpei Gou, Ding Luo, Zerong Liu, Feng Zhu and Weiwei Xue*, 

Discovery of Novel Inhibitors Targeting Human O-GlcNAcase: Docking-Based Virtual Screening, Biological Evaluation, Structural Modification, and Molecular Dynamics Simulation

Published: 5 September 2019 DOI: 10.1021/acs.jcim.9b00479
Lili Dong, Shengqiang Shen, Wei Chen, Dongdong Xu, Qing Yang, Huizhe Lu*, Jianjun Zhang*

Characterization of the Chemical Space of Known and Readily Obtainable Natural Products

Published: 16 July 2018 DOI: 10.1021/acs.jcim.8b00302
Ya Chen, Marina Garcia de Lomana, Nils-Ole Friedrich, Johannes Kirchmair*
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