Generate structural formulas from IUPAC names, CAS numbers, and common names! Automation of text mining is possible.
"Name to Structure" is a chemical text mining tool that generates chemical structures from IUPAC names, CAS numbers, common names, and more. It can also convert names to chemical structures using command-line tools like Molcovert and cxcalc, and it is possible to incorporate conversion functionality into custom applications using an API. Additionally, Document to Structure can be accessed via API and command line, recognizing chemical names within HTML, text, and PDF files and converting them into structures. 【Features】 <Document to Structure Add-on> ■ Not only recognizes chemical names and converts them into structures, but also retrieves the location information of chemical names within files. ■ The API is implemented in the free service chemicalize.org, used to find chemical names within web pages and convert them into structures. ■ Integrated with Knime, enabling automation of text mining. *For more details, please refer to the related links or feel free to contact us.
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【Other Features】 ■ Multiple methods for batch conversion from names to structural formulas ■ Instant JChem, JChem for Excel, MarvinView ・ Automatically recognizes structures when importing a text file with names ・ Can read structures in the same way as importing from SD files ■ Workflow tools like Pipeline Pilot and Knime ・ Conversion tools implemented as one of the components ・ Name to structure conversion possible from command line tools like Molconvert and cxcalc ・ Conversion functionality can be integrated into custom applications using APIs *For more details, please refer to the related links or feel free to contact us.
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For more details, please refer to the related links or feel free to contact us.
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Patocoa Inc. is a specialized company in drug discovery support systems. Additionally, we focus on improving and streamlining compliance-related operations concerning regulated substances, and we have provided various solutions to pharmaceutical companies, chemical companies, universities, and government agencies. We contribute to accelerating drug discovery and reducing costs with our cutting-edge chemoinformatics systems.
