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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
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*,
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*,
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*
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*
Ya Chen, Marina Garcia de Lomana, Nils-Ole Friedrich, Johannes Kirchmair*




