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Journal of Chemical Information and Modeling - ACS Publications The Journal of Chemical Information and Modeling (JCIM) is a bi-weekly peer-reviewed journal that publishes papers reporting new methodologies in chemical informatics and molecular modeling and its application and validation by experimental means
Journal of Chemical Information and Modeling To submit your manuscript, you must use the ACS Publishing Center Please review the Author Guidelines before beginning your manuscript submission You must include a graphical summary for the table of contents See the Author Guidelines section on Table of Contents Graphics for more information
Computational Chemistry in the Global South: A Latin American . . . The Journal of Chemical Information and Modeling (JCIM) and the Journal of Chemical Theory and Computation (JCTC) are excited to announce a joint Special Issue on Computational Chemistry in the Global South: The Latin American Perspective
De Novo Design of Cyclic Peptide Binders Based on Fragment Docking and . . . Journal of Chemical Information and Modeling 2025, 65 (20) , 11400-11412 https: doi org 10 1021 acs jcim 5c01839 Fanhao Wang, Tiantian Zhang, Jintao Zhu, Xiaoling Zhang, Changsheng Zhang, Luhua Lai Reinforcement Learning-Based Target-Specific De Novo Design of Cyclic Peptide Binders
Vina-CUDA: An Efficient Program with in-Depth Utilization of GPU to . . . Journal of Chemical Information and Modeling 2025, 65 (22) , 12398-12409 https: doi org 10 1021 acs jcim 5c01596 Louna El Bitar, Fares Sarraf, Perla Nafeh, Aziz Habib, Issam Mahfoud, Abraham Yazbeck, Maria Younes, Brigitte Wex, Sandra Rizk
Deep Learning-Driven Insights into Enzyme–Substrate Interaction . . . The Supporting Information is available free of charge at https: pubs acs org doi 10 1021 acs jcim 4c01801 Additional comparative analyses, detailed performance metrics, and evaluations of model fine-tuning; tables providing quantitative performance metrics and comparative analyses for the model across various tasks, highlighting its