Rafal Mulka, Dan Su, Wen-Shuo Huang, Li Zhang, Huaihai Huang, Xiaoyu Lai, Yao Li, Xiao-Song Xue
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引用次数: 0
Abstract
Organofluorine compounds, owing to their unique physicochemical properties, play an increasingly crucial role in fields such as medicine, pesticides, and advanced materials. Fluorinated reagents are indispensable for developing efficient synthetic methods for organofluorine compounds and serve as the cornerstone of organofluorine chemistry. Equally important are fluorinated functional molecules, which contribute specific properties necessary for applications in pharmaceuticals, agrochemicals, and materials science. However, information about these agents' structure, properties, and functions is scattered throughout vast literature, making it inconvenient for synthetic chemists to access and utilize them effectively. Recognizing the need for a dedicated and organized resource, we present FluoBase—a comprehensive fluorinated agents database designed to streamline access to key information about fluorinated agents. FluoBase aims to become the premier resource for information related to fluorine chemistry, serving the scientific community and anyone interested in the applications of fluorine chemistry and machine learning for property predictions. FluoBase is freely available at https://fluobase.siochemdb.com.
Scientific contribution
FluoBase is a database designed to provide comprehensive information on the structures, properties, and functions of fluorinated agents and functional molecules. FluoBase aims to become the premier resource for fluorine chemistry, serving the scientific community and anyone interested in the applications of fluorine chemistry and machine learning for property predictions.
期刊介绍:
Journal of Cheminformatics is an open access journal publishing original peer-reviewed research in all aspects of cheminformatics and molecular modelling.
Coverage includes, but is not limited to:
chemical information systems, software and databases, and molecular modelling,
chemical structure representations and their use in structure, substructure, and similarity searching of chemical substance and chemical reaction databases,
computer and molecular graphics, computer-aided molecular design, expert systems, QSAR, and data mining techniques.