PubChem

PubChem

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PubChem is an open chemistry database maintained by the National Center for Biotechnology Information (NCBI). It provides information on the biological activities of small molecules, including their chemical structures, properties, and biological assays. While not AI-specific, PubChem leverages machine learning algorithms to enhance data curation, structure annotation, and compound similarity search.

Key Features and Use Cases:

    • Open chemistry database for small molecule information.
    • Chemical structure search and compound identification.
    • Biological activity data for drug discovery and development.
    • Data curation and annotation using machine learning algorithms.
    • Compound similarity search for finding structurally related molecules.
    • Integration with other bioinformatics tools and resources.

 

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