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SpaceExpander: An Automated System for Drafting Markush Claims to Expand Chemical Space
Rui Wu1, Liyun Mao1, Yanyan Diao2
1School of Pharmacy, East China University of Science and Technology, Shanghai, China.
None:
Drafting chemical compound patents, particularly those involving Markush structures, is a complex task often hindered by manual workflows that are time-consuming and error-prone and may result in incomplete protection. To address these challenges, we introduce SpaceExpander, an open-source tool designed to automate the generation of Markush patent claims with improved accuracy and efficiency. The tool systematically extracts molecular scaffolds, identifies R-groups, and constructs comprehensive Markush structures to expand patent coverage. To enhance accessibility and usability, we provide a publicly available web server for online usage, along with standalone executables compatible with Windows, macOS, and Linux to support offline access.
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