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38 lines
1.6 KiB
38 lines
1.6 KiB
# Chemical Properties
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Contributor: [Zheni Zeng](https://github.com/Ellenzzn)
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## Tool Description
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The tool, "Chemical Property Plugin," provides the ability to lookup a chemical's properties by querying a chemical knowledge base. The tool accepts the input in a JSON format, like {'input': 'some input'} and guides you to ask questions and search step by step.
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### Tool Specifications
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- **Name**: Chemical Property Plugin
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- **Purpose**: Plugin for looking up a chemical's property using a chemical knowledge base
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- **Logo**: 
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- **Contact Email**: hello@contact.com
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- **Legal Information**: [Legal Information](hello@legal.com)
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### Core Functionality
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1. `get_name`
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This method accepts a Compound ID (CID) and returns the top 3 synonyms for the queried compound.
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2. `get_allname`
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This method accepts a Compound ID (CID) and returns all the possible synonyms for the queried compound. Be aware that the number of returned names can be large, so use this function with caution.
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3. `get_id_by_struct`
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This method accepts a SMILES formula and returns the ID of the queried compound. This method should be used only if the SMILES formula is provided or retrieved in the previous step.
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4. `get_id`
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This method accepts a compound name and returns the ID of the queried compound. If the name cannot be precisely matched, it will return the possible names.
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5. `get_prop`
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This method accepts a Compound ID (CID) and returns the properties of the queried compound.
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The tool is made possible through the use of the ChemicalPropAPI, which interacts with a chemical knowledge base. |