Chembl 工具

Configuration File: chembl_tools.json Tool Type: Local Tools Count: 29

此页面包含在 chembl_tools.json 配置文件中定义的所有工具。

可用工具

ChEMBL_get_activity (Type: ChEMBLRESTTool)

Get detailed information about a specific activity by its activity ID. Activity IDs are found in …

ChEMBL_get_activity tool specification

工具信息:

  • Name: ChEMBL_get_activity

  • Type: ChEMBLRESTTool

  • Description: Get detailed information about a specific activity by its activity ID. Activity IDs are found in the results from ChEMBL_search_activities or ChEMBL_get_target_activities.

参数:

  • activity_id (string) (required) ChEMBL activity ID

示例用法:

query = {
    "name": "ChEMBL_get_activity",
    "arguments": {
        "activity_id": "example_value"
    }
}
result = tu.run(query)

ChEMBL_get_assay (Type: ChEMBLRESTTool)

Get detailed information about an assay by its ChEMBL assay ID. To find an assay ID, use ChEMBL_s…

ChEMBL_get_assay tool specification

工具信息:

  • Name: ChEMBL_get_assay

  • Type: ChEMBLRESTTool

  • Description: Get detailed information about an assay by its ChEMBL assay ID. To find an assay ID, use ChEMBL_search_assays or ChEMBL_get_target_assays.

参数:

  • assay_chembl_id (string) (required) ChEMBL assay ID, e.g., ‘CHEMBL1217641’

  • format (string) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_get_assay",
    "arguments": {
        "assay_chembl_id": "example_value"
    }
}
result = tu.run(query)

ChEMBL_get_assay_activities (Type: ChEMBLRESTTool)

Get all activity data for an assay by ChEMBL assay ID. Returns bioactivity measurements from the …

ChEMBL_get_assay_activities tool specification

工具信息:

  • Name: ChEMBL_get_assay_activities

  • Type: ChEMBLRESTTool

  • Description: Get all activity data for an assay by ChEMBL assay ID. Returns bioactivity measurements from the specified assay. To find an assay ID, use ChEMBL_search_assays or ChEMBL_get_target_assays.

参数:

  • assay_chembl_id__exact (string) (required) ChEMBL assay ID (e.g., ‘CHEMBL615117’). To find an assay ID, use ChEMBL_search_assays or ChEMBL_get_target_assays.

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_get_assay_activities",
    "arguments": {
        "assay_chembl_id__exact": "example_value"
    }
}
result = tu.run(query)

ChEMBL_get_compound_record (Type: ChEMBLRESTTool)

Get compound record information by ChEMBL compound record ID.

ChEMBL_get_compound_record tool specification

工具信息:

  • Name: ChEMBL_get_compound_record

  • Type: ChEMBLRESTTool

  • Description: Get compound record information by ChEMBL compound record ID.

参数:

  • compound_record_id (string) (required) ChEMBL compound record ID

示例用法:

query = {
    "name": "ChEMBL_get_compound_record",
    "arguments": {
        "compound_record_id": "example_value"
    }
}
result = tu.run(query)

ChEMBL_get_compound_record_activities (Type: ChEMBLRESTTool)

Get all activities for a compound record by compound record ID. Returns bioactivity measurements …

ChEMBL_get_compound_record_activities tool specification

工具信息:

  • Name: ChEMBL_get_compound_record_activities

  • Type: ChEMBLRESTTool

  • Description: Get all activities for a compound record by compound record ID. Returns bioactivity measurements for the specified compound record.

参数:

  • compound_record_id__exact (string) (required) ChEMBL compound record ID. To find a compound record ID, use ChEMBL_get_compound_record or search activities.

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_get_compound_record_activities",
    "arguments": {
        "compound_record_id__exact": "example_value"
    }
}
result = tu.run(query)

ChEMBL_get_drug (Type: ChEMBLRESTTool)

Get detailed information about a drug by its ChEMBL drug ID. Includes approval status, indication…

ChEMBL_get_drug tool specification

工具信息:

  • Name: ChEMBL_get_drug

  • Type: ChEMBLRESTTool

  • Description: Get detailed information about a drug by its ChEMBL drug ID. Includes approval status, indications, and mechanisms. To find a drug ID, use ChEMBL_search_drugs with a drug name.

参数:

  • drug_chembl_id (string) (required) ChEMBL drug ID, e.g., ‘CHEMBL1201581’

  • format (string) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_get_drug",
    "arguments": {
        "drug_chembl_id": "example_value"
    }
}
result = tu.run(query)

ChEMBL_get_drug_mechanisms (Type: ChEMBLRESTTool)

Get mechanisms of action for a drug by ChEMBL drug ID or drug name. Accepts drug_chembl_id (e.g.,…

ChEMBL_get_drug_mechanisms tool specification

工具信息:

  • Name: ChEMBL_get_drug_mechanisms

  • Type: ChEMBLRESTTool

  • Description: Get mechanisms of action for a drug by ChEMBL drug ID or drug name. Accepts drug_chembl_id (e.g., ‘CHEMBL1201581’) or drug_name (e.g., ‘trastuzumab’) — drug_name triggers automatic ChEMBL ID lookup.

参数:

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

  • drug_chembl_id (string) (optional) ChEMBL drug/molecule ID (e.g., “CHEMBL1201581” for adalimumab, “CHEMBL4535757” for sotorasib).

  • drug_name (string) (optional) Drug name for automatic ChEMBL ID lookup (e.g., “trastuzumab”, “lapatinib”, “aspirin”). Case-insensitive. Triggers internal ChEMBL molecule search — use drug_chembl_id if you already know the ID.

  • molecule_chembl_id (string) (optional) Alias for drug_chembl_id. ChEMBL molecule ID (e.g., “CHEMBL25” for aspirin).

  • chembl_id (string) (optional) Alias for drug_chembl_id. ChEMBL ID (e.g., “CHEMBL3301622”).

示例用法:

query = {
    "name": "ChEMBL_get_drug_mechanisms",
    "arguments": {
    }
}
result = tu.run(query)

ChEMBL_get_molecule (Type: ChEMBLRESTTool)

Get detailed information about a molecule by its ChEMBL ID. Returns molecule properties, structur…

ChEMBL_get_molecule tool specification

工具信息:

  • Name: ChEMBL_get_molecule

  • Type: ChEMBLRESTTool

  • Description: Get detailed information about a molecule by its ChEMBL ID. Returns molecule properties, structures, synonyms, and related data.

参数:

  • chembl_id (string) (optional) ChEMBL molecule ID, e.g., ‘CHEMBL25’

  • format (string) (optional) Response format

  • molecule_chembl_id (string) (optional) Alias for chembl_id. ChEMBL molecule ID, e.g., CHEMBL1229517.

示例用法:

query = {
    "name": "ChEMBL_get_molecule",
    "arguments": {
    }
}
result = tu.run(query)

ChEMBL_get_molecule_image (Type: ChEMBLRESTTool)

Get molecular structure image (SVG or PNG format) for a molecule by ChEMBL ID. Returns the image …

ChEMBL_get_molecule_image tool specification

工具信息:

  • Name: ChEMBL_get_molecule_image

  • Type: ChEMBLRESTTool

  • Description: Get molecular structure image (SVG or PNG format) for a molecule by ChEMBL ID. Returns the image URL and metadata.

参数:

  • chembl_id (string) (required) ChEMBL molecule ID (e.g., ‘CHEMBL25’). To find a molecule ID, use ChEMBL_search_molecules with a molecule name.

  • format (string) (optional) Image format

示例用法:

query = {
    "name": "ChEMBL_get_molecule_image",
    "arguments": {
        "chembl_id": "example_value"
    }
}
result = tu.run(query)

ChEMBL_get_molecule_targets (Type: ChEMBLRESTTool)

Get all unique targets associated with a molecule by ChEMBL ID. Returns targets that have activit…

ChEMBL_get_molecule_targets tool specification

工具信息:

  • Name: ChEMBL_get_molecule_targets

  • Type: ChEMBLRESTTool

  • Description: Get all unique targets associated with a molecule by ChEMBL ID. Returns targets that have activity data for the specified molecule (deduplicated from activity records).

参数:

  • molecule_chembl_id__exact (string) (optional) ChEMBL molecule ID (e.g., ‘CHEMBL25’ for aspirin). To find a molecule ID, use ChEMBL_search_molecules. Alias: molecule_chembl_id.

  • molecule_chembl_id (string) (optional) Alias for molecule_chembl_id__exact. ChEMBL molecule ID.

  • limit (integer) (optional) Maximum number of activity records to fetch for target deduplication (default 500).

示例用法:

query = {
    "name": "ChEMBL_get_molecule_targets",
    "arguments": {
    }
}
result = tu.run(query)

ChEMBL_get_target (Type: ChEMBLRESTTool)

Get detailed information about a target (protein, gene, etc.) by its ChEMBL target ID. To find a …

ChEMBL_get_target tool specification

工具信息:

  • Name: ChEMBL_get_target

  • Type: ChEMBLRESTTool

  • Description: Get detailed information about a target (protein, gene, etc.) by its ChEMBL target ID. To find a target ID, use ChEMBL_search_targets with a target name or gene symbol.

参数:

  • target_chembl_id (string) (required) ChEMBL target ID (e.g., ‘CHEMBL2074’). To find a target ID, use ChEMBL_search_targets with a target name or gene symbol.

  • format (string) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_get_target",
    "arguments": {
        "target_chembl_id": "example_value"
    }
}
result = tu.run(query)

ChEMBL_get_target_activities (Type: ChEMBLRESTTool)

Get all activity data for a target by ChEMBL target ID. Returns bioactivity measurements (IC50, K…

ChEMBL_get_target_activities tool specification

工具信息:

  • Name: ChEMBL_get_target_activities

  • Type: ChEMBLRESTTool

  • Description: Get all activity data for a target by ChEMBL target ID. Returns bioactivity measurements (IC50, Ki, etc.) for molecules tested against this target. Note: activity values may be in different units (nM or uM) depending on the assay — check the ‘standard_units’ field in each result. To find a target ID, use ChEMBL_search_targets with a target name or gene symbol.

参数:

  • target_chembl_id__exact (string) (optional) ChEMBL target ID (e.g., ‘CHEMBL2074’). To find a target ID, use ChEMBL_search_targets with a target name or gene symbol.

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

  • target_chembl_id (string) (optional) Alias for target_chembl_id__exact. ChEMBL target ID (e.g., CHEMBL213).

示例用法:

query = {
    "name": "ChEMBL_get_target_activities",
    "arguments": {
    }
}
result = tu.run(query)

ChEMBL_get_target_assays (Type: ChEMBLRESTTool)

Get all assays associated with a target by ChEMBL target ID. To find a target ID, use ChEMBL_sear…

ChEMBL_get_target_assays tool specification

工具信息:

  • Name: ChEMBL_get_target_assays

  • Type: ChEMBLRESTTool

  • Description: Get all assays associated with a target by ChEMBL target ID. To find a target ID, use ChEMBL_search_targets with a target name or gene symbol.

参数:

  • target_chembl_id__exact (string) (required) ChEMBL target ID (e.g., ‘CHEMBL2074’). To find a target ID, use ChEMBL_search_targets with a target name or gene symbol.

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_get_target_assays",
    "arguments": {
        "target_chembl_id__exact": "example_value"
    }
}
result = tu.run(query)

ChEMBL_search_activities (Type: ChEMBLRESTTool)

Search activity data by molecule, target, assay, or activity values. Supports filtering by IC50, …

ChEMBL_search_activities tool specification

工具信息:

  • Name: ChEMBL_search_activities

  • Type: ChEMBLRESTTool

  • Description: Search activity data by molecule, target, assay, or activity values. Supports filtering by IC50, Ki, EC50, etc. Note: activity data is sparse and depends on curation; some specific filter combinations can legitimately return zero results. For reliable retrieval, prefer starting from a known target (target_chembl_id__exact) or assay (assay_chembl_id__exact). To find molecule or target IDs, use ChEMBL_search_molecules or ChEMBL_search_targets.

参数:

  • molecule_chembl_id (string) (optional) Filter by molecule ChEMBL ID

  • target_chembl_id (string) (optional) Filter by target ChEMBL ID

  • assay_chembl_id (string) (optional) Filter by assay ChEMBL ID

  • standard_type (string) (optional) Filter by activity type (e.g., ‘IC50’, ‘Ki’, ‘EC50’)

  • standard_value__lte (number) (optional) Filter by maximum activity value

  • standard_value__gte (number) (optional) Filter by minimum activity value

  • fields (array) (optional) Optional list of ChEMBL activity fields to include in each returned activity object (projection). ToolUniverse maps this to ChEMBL’s only query parameter (comma-separated). Supported fields: activity_id, molecule_chembl_id, target_chembl_id, assay_chembl_id, standard_type, standard_value, standard_units, pchembl_value, standard_relation, standard_flag.

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_search_activities",
    "arguments": {
    }
}
result = tu.run(query)

ChEMBL_search_assays (Type: ChEMBLRESTTool)

Search assays by various criteria including assay type, target, organism. Use this tool to find a…

ChEMBL_search_assays tool specification

工具信息:

  • Name: ChEMBL_search_assays

  • Type: ChEMBLRESTTool

  • Description: Search assays by various criteria including assay type, target, organism. Use this tool to find assay ChEMBL IDs needed for other tools.

参数:

  • assay_chembl_id (string) (optional) Filter by assay ChEMBL ID

  • assay_type (string) (optional) Filter by assay type (e.g., ‘B’, ‘F’, ‘A’)

  • target_chembl_id (string) (optional) Filter by target ChEMBL ID

  • fields (array) (optional) Optional list of ChEMBL assay fields to include in each returned assay object (projection). ToolUniverse maps this to ChEMBL’s only query parameter (comma-separated). Supported fields: assay_chembl_id, description, assay_type, confidence_score, target_chembl_id, assay_organism, bao_label.

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_search_assays",
    "arguments": {
    }
}
result = tu.run(query)

ChEMBL_search_atc_classification (Type: ChEMBLRESTTool)

Search ATC (Anatomical Therapeutic Chemical) classifications for drugs. To find a drug ID, use Ch…

ChEMBL_search_atc_classification tool specification

工具信息:

  • Name: ChEMBL_search_atc_classification

  • Type: ChEMBLRESTTool

  • Description: Search ATC (Anatomical Therapeutic Chemical) classifications for drugs. To find a drug ID, use ChEMBL_search_drugs.

参数:

  • level4 (string) (optional) Filter by ATC level 4 code

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_search_atc_classification",
    "arguments": {
    }
}
result = tu.run(query)

ChEMBL_search_binding_sites (Type: ChEMBLRESTTool)

Search binding sites by target, site name, or other criteria.

ChEMBL_search_binding_sites tool specification

工具信息:

  • Name: ChEMBL_search_binding_sites

  • Type: ChEMBLRESTTool

  • Description: Search binding sites by target, site name, or other criteria.

参数:

  • target_chembl_id (string) (optional) Filter by target ChEMBL ID

  • site_name__contains (string) (optional) Filter by site name (contains)

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_search_binding_sites",
    "arguments": {
    }
}
result = tu.run(query)

ChEMBL_search_cell_lines (Type: ChEMBLRESTTool)

Search cell lines used in ChEMBL assays.

ChEMBL_search_cell_lines tool specification

工具信息:

  • Name: ChEMBL_search_cell_lines

  • Type: ChEMBLRESTTool

  • Description: Search cell lines used in ChEMBL assays.

参数:

  • cell_chembl_id (string) (optional) Filter by cell line ChEMBL ID

  • cell_name__contains (string) (optional) Filter by cell line name (contains)

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_search_cell_lines",
    "arguments": {
    }
}
result = tu.run(query)

ChEMBL_search_compound_structural_alerts (Type: ChEMBLRESTTool)

Search compound structural alerts (toxicity warnings) by molecule or alert type.

ChEMBL_search_compound_structural_alerts tool specification

工具信息:

  • Name: ChEMBL_search_compound_structural_alerts

  • Type: ChEMBLRESTTool

  • Description: Search compound structural alerts (toxicity warnings) by molecule or alert type.

参数:

  • molecule_chembl_id (string) (optional) Filter by molecule ChEMBL ID

  • alert_name__contains (string) (optional) Filter by alert name (contains)

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_search_compound_structural_alerts",
    "arguments": {
    }
}
result = tu.run(query)

ChEMBL_search_documents (Type: ChEMBLRESTTool)

Search ChEMBL documents (publications) by various criteria.

ChEMBL_search_documents tool specification

工具信息:

  • Name: ChEMBL_search_documents

  • Type: ChEMBLRESTTool

  • Description: Search ChEMBL documents (publications) by various criteria.

参数:

  • document_id (string) (optional) Filter by document ID

  • title__contains (string) (optional) Filter by document title (contains)

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_search_documents",
    "arguments": {
    }
}
result = tu.run(query)

ChEMBL_search_drugs (Type: ChEMBLRESTTool)

Search drugs by name, approval status, or other criteria. Use the query parameter to search by …

ChEMBL_search_drugs tool specification

工具信息:

  • Name: ChEMBL_search_drugs

  • Type: ChEMBLRESTTool

  • Description: Search drugs by name, approval status, or other criteria. Use the query parameter to search by drug name (e.g., {“query”: “sotorasib”}). Use max_phase to filter by development phase.

参数:

  • query (string) (optional) Drug name to search for (partial match, case-insensitive). E.g., “sotorasib”, “olaparib”, “imatinib”.

  • max_phase (integer) (optional) Filter by maximum development phase (0-4)

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

  • molecule_chembl_id (string) (optional) Filter by ChEMBL molecule ID (e.g., “CHEMBL1201581” for adalimumab).

示例用法:

query = {
    "name": "ChEMBL_search_drugs",
    "arguments": {
    }
}
result = tu.run(query)

ChEMBL_search_mechanisms (Type: ChEMBLRESTTool)

Search mechanisms of action by drug, target, or mechanism type. To find drug or target IDs, use C…

ChEMBL_search_mechanisms tool specification

工具信息:

  • Name: ChEMBL_search_mechanisms

  • Type: ChEMBLRESTTool

  • Description: Search mechanisms of action by drug, target, or mechanism type. To find drug or target IDs, use ChEMBL_search_drugs or ChEMBL_search_targets.

参数:

  • drug_chembl_id (string) (optional) Filter by drug ChEMBL ID

  • target_chembl_id (string) (optional) Filter by target ChEMBL ID

  • mechanism_of_action__contains (string) (optional) Filter by mechanism description (contains)

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_search_mechanisms",
    "arguments": {
    }
}
result = tu.run(query)

ChEMBL_search_molecules (Type: ChEMBLRESTTool)

Search molecules by name, ChEMBL ID, or other criteria. Supports filtering and pagination. Note: …

ChEMBL_search_molecules tool specification

工具信息:

  • Name: ChEMBL_search_molecules

  • Type: ChEMBLRESTTool

  • Description: Search molecules by name, ChEMBL ID, or other criteria. Supports filtering and pagination. Note: some text-based filters (especially pref_name__contains) may legitimately return zero results because pref_name coverage is incomplete and may not contain common drug names. For reliable retrieval, prefer ID-based filters like molecule_chembl_id or use ChEMBL_get_molecule when you already have a ChEMBL ID.

参数:

  • molecule_chembl_id (string) (optional) Filter by ChEMBL ID (exact match)

  • pref_name__contains (string) (optional) Filter by preferred name (contains). Note: pref_name coverage is incomplete in ChEMBL, so this can legitimately return zero results even for common names; prefer molecule_chembl_id for reliable retrieval.

  • query (string) (optional) Molecule name to search for. Alias for pref_name__contains.

  • max_results (integer) (optional) Maximum number of results to return. Alias for limit.

  • molecule_type (string) (optional) Filter by molecule type (e.g., ‘Small molecule’, ‘Antibody’)

  • fields (array) (optional) Optional list of ChEMBL molecule fields to include in each returned molecule object (projection). ToolUniverse maps this to ChEMBL’s only query parameter (comma-separated). Supported fields: molecule_chembl_id, pref_name, molecule_type, max_phase, first_approval, black_box_warning, withdrawn_flag, molecule_structures, molecule_properties.

  • limit (integer) (optional) Maximum number of results (default: 20, max: 1000)

  • offset (integer) (optional) Offset for pagination (default: 0)

  • format (string) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_search_molecules",
    "arguments": {
    }
}
result = tu.run(query)

ChEMBL_search_protein_classification (Type: ChEMBLRESTTool)

Search protein classifications by target, classification type, or other criteria. To find a targe…

ChEMBL_search_protein_classification tool specification

工具信息:

  • Name: ChEMBL_search_protein_classification

  • Type: ChEMBLRESTTool

  • Description: Search protein classifications by target, classification type, or other criteria. To find a target ID, use ChEMBL_search_targets.

参数:

  • target_chembl_id (string) (optional) Filter by target ChEMBL ID

  • protein_class_id (string) (optional) Filter by protein class ID

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_search_protein_classification",
    "arguments": {
    }
}
result = tu.run(query)

**ChEMBL_search_similar_molecules**(类型:ChEMBL工具)

使用 Ch… 搜索与给定的 SMILES、chembl_id 或化合物/药物名称相似的分子。

ChEMBL_search_similar_molecules 工具规格说明

工具信息:

  • 名称ChEMBL_search_similar_molecules

  • 类型ChEMBLTool

  • Description: Search for molecules similar to a given SMILES, chembl_id, or compound or drug name, using the ChEMBL Web Services. Note: This tool is designed for small molecule compounds only. Biologics (antibodies, proteins, oligonucleotides, etc.) do not have SMILES structures and cannot be used for similarity search. For biologics similarity search, use BLAST_protein_search (requires amino acid sequence) or UniProt_search. For small molecules, use PubChem_search_compounds_by_similarity (requires SMILES input).

参数:

  • query (string) (required) SMILES string, chembl_id, or compound or drug name. Note: Only small molecule compounds are supported. Biologics (antibodies, proteins, etc.) will return an error as they lack SMILES structures.

  • similarity_threshold (integer) (required) Similarity threshold (0–100).

  • max_results (integer) (required) Maximum number of results to return.

示例用法:

query = {
    "name": "ChEMBL_search_similar_molecules",
    "arguments": {
        "query": "example_value",
        "similarity_threshold": 10,
        "max_results": 10
    }
}
result = tu.run(query)

ChEMBL_search_similarity (Type: ChEMBLRESTTool)

Search molecules similar to a given SMILES string using Tanimoto similarity. Returns molecules wi…

ChEMBL_search_similarity tool specification

工具信息:

  • Name: ChEMBL_search_similarity

  • Type: ChEMBLRESTTool

  • Description: Search molecules similar to a given SMILES string using Tanimoto similarity. Returns molecules with similarity above the threshold.

参数:

  • smiles (string) (required) SMILES string to search for similar molecules

  • threshold (integer) (required) Similarity threshold (0-100). Molecules with similarity >= threshold will be returned.

  • limit (integer) (optional) Maximum number of results (default: 20, max: 1000)

  • offset (integer) (optional) Offset for pagination (default: 0)

示例用法:

query = {
    "name": "ChEMBL_search_similarity",
    "arguments": {
        "smiles": "example_value",
        "threshold": 10
    }
}
result = tu.run(query)

ChEMBL_search_substructure (Type: ChEMBLRESTTool)

Search molecules by substructure using SMILES. Returns molecules containing the specified substru…

ChEMBL_search_substructure tool specification

工具信息:

  • Name: ChEMBL_search_substructure

  • Type: ChEMBLRESTTool

  • Description: Search molecules by substructure using SMILES. Returns molecules containing the specified substructure.

参数:

  • smiles (string) (required) SMILES string representing the substructure to search for

  • limit (integer) (optional) Maximum number of results (default: 20, max: 1000)

  • offset (integer) (optional) Offset for pagination (default: 0)

示例用法:

query = {
    "name": "ChEMBL_search_substructure",
    "arguments": {
        "smiles": "example_value"
    }
}
result = tu.run(query)

ChEMBL_search_targets (Type: ChEMBLRESTTool)

Search targets by name, organism, target type, or other criteria. Use this tool to find target Ch…

ChEMBL_search_targets tool specification

工具信息:

  • Name: ChEMBL_search_targets

  • Type: ChEMBLRESTTool

  • Description: Search targets by name, organism, target type, or other criteria. Use this tool to find target ChEMBL IDs needed for other tools.

参数:

  • target_chembl_id (string) (optional) Filter by target ChEMBL ID

  • pref_name__contains (string) (optional) Filter by target name (contains)

  • organism (string) (optional) Filter by organism (e.g., ‘Homo sapiens’)

  • target_type (string) (optional) Filter by target type (e.g., ‘SINGLE PROTEIN’, ‘PROTEIN COMPLEX’)

  • fields (array) (optional) Optional list of ChEMBL target fields to include in each returned target object (projection). ToolUniverse maps this to ChEMBL’s only query parameter (comma-separated). Supported fields: target_chembl_id, pref_name, organism, target_type, target_components.

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_search_targets",
    "arguments": {
    }
}
result = tu.run(query)

ChEMBL_search_tissue (Type: ChEMBLRESTTool)

Search tissues used in ChEMBL assays.

ChEMBL_search_tissue tool specification

工具信息:

  • Name: ChEMBL_search_tissue

  • Type: ChEMBLRESTTool

  • Description: Search tissues used in ChEMBL assays.

参数:

  • tissue_chembl_id (string) (optional) Filter by tissue ChEMBL ID

  • pref_name__contains (string) (optional) Filter by tissue name (contains)

  • limit (integer) (optional) No description

  • offset (integer) (optional) No description

示例用法:

query = {
    "name": "ChEMBL_search_tissue",
    "arguments": {
    }
}
result = tu.run(query)