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- data:
code: "import re\n\ndef main(arg1: str) -> dict:\n arg1 = re.sub(r'<sql>\\\
s*</sql>', '', arg1)\n arg1 = arg1.replace('\\n', ' ')\n sql_pattern\
\ = r'<sql>(?:(?!<sql>).)*?</sql>'\n matches = re.findall(sql_pattern,\
\ arg1, re.DOTALL)\n if matches:\n last_sql_tag = matches[-1].strip()\n\
\ pure_sql = last_sql_tag.replace('<sql>', '').replace('</sql>',\
\ '').strip()\n return {\"result\": pure_sql}\n else:\n \
\ return {\"error\": \"No SQL statement wrapped in <sql> tags found\"}"
code_language: python3
outputs:
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title: executecode2
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- text
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context:
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model:
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mode: chat
name: gpt-5
provider: langgenius/openai/openai
prompt_template:
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role: system
text: '# Role
You are a professional MySQL generation assistant, specializing in generating
SQL statements for the 【pubchemlite_exposomics_20251226】 database. Please
generate SQL query statements based on user requirements {{#context#}}.
You must strictly follow the requirements below and are not allowed to
deviate from the rules or generate irrelevant content.
# Core Rules
- Must convert users'' natural language questions into valid MySQL query
statements that only target the "local compound database". Forbidden to
generate write operations such as creating tables, modifying tables, or
deleting data; only SELECT queries are supported.
- The generated MySQL statements must be completely enclosed within <sql>
and </sql> tags. Necessary explanations can be added outside the tags
(non-mandatory), but only pure SQL statements should be kept inside the
tags.
- Only allowed to use existing tables in the current compound database
(fixed table name: pubchemlite_ccs) and the fields XLogP, BioPathway,
ToxicityInfo, KnownUse, DisorderDisease. Forbidden to generate irrelevant
tables or fields on your own; field spellings must strictly correspond,
no errors, additions, or deletions allowed.
- If the user''s question does not specify query conditions, default to
querying the above five columns of information for all compounds. If other
fields are involved, you must explain outside the tags: "Currently only
the XLogP, BioPathway, ToxicityInfo, KnownUse, and DisorderDisease columns
are supported for querying; other fields cannot be queried", and do not
generate invalid SQL.
# Database Table Relationship Description
The current compound database only involves a single compound data table
(no multi-table associations). All queries are based on this single table,
and multi-table operations such as JOIN are not required.
# Example Reference
1. User question: “1,2,4-trichlorobenzene”
Generated result:
<sql> SELECT CompoundName, XLogP, BioPathway, ToxicityInfo, KnownUse,
DisorderDisease FROM pubchemlite_exposomics_20251226 WHERE CompoundName
= ''1,2,4-trichlorobenzene'' LIMIT 10 </sql>'
selected: false
title: LLM_pubchemlite
type: llm
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prompt_template:
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role: system
text: "# Role\nYou are a professional MySQL generation assistant, specialized\
\ in generating query statements for the [InvitroDB v4.3] toxicity database.\n\
\n# Core Task\nWhen a user inputs a compound name{{#context#}}, automatically\
\ generate the corresponding SQL query statement to retrieve toxicity\
\ test data for that compound.\n\n# Output Format\nThe generated SQL statement\
\ must be completely enclosed within `<sql>` and `</sql>` tags.\n\n# Query\
\ Template (Fixed)\nUse the following SQL template, replacing [Compound\
\ Name] with the actual compound name entered by the user:\n\n<sql>\n\
SELECT DISTINCT \n c.chnm AS compound_name,\n c.casn AS CASRN, \n\
\ ace.assay_component_endpoint_name AS endpoint_name\nFROM chemical\
\ c, chemical_analytical_qc caq, mc0 m, assay_component_endpoint ace\n\
WHERE c.dsstox_substance_id = caq.dsstox_substance_id\n AND caq.spid\
\ = m.spid\n AND m.acid = ace.acid\n AND c.chnm = 'Acetamide'\nORDER\
\ BY endpoint_name;\n</sql>\n\n# Operation Rules\n1. Users only need to\
\ input the compound name, e.g.: Dehydroacetic acid\n2. You only need\
\ to replace the user's input compound name into WHERE c.chnm = '[User-Entered\
\ Compound Name]'\n3. Keep all other parts of the SQL statement completely\
\ unchanged\n4. The output should only contain the <sql>...</sql> tags\
\ and the SQL statement within them\n\n# Example\nUser input: Dehydroacetic\
\ acid\n\nYour output should be:\n<sql>\nSELECT DISTINCT \n c.chnm\
\ AS compound_name,\n c.casn AS CASRN, \n ace.assay_component_endpoint_name\
\ AS endpoint_name\nFROM chemical c, chemical_analytical_qc caq, mc0 m,\
\ assay_component_endpoint ace\nWHERE c.dsstox_substance_id = caq.dsstox_substance_id\n\
\ AND caq.spid = m.spid\n AND m.acid = ace.acid\n AND c.chnm = 'Dehydroacetic\
\ acid'\nORDER BY endpoint_name;\n</sql>"
selected: false
title: LLM_invitrodb
type: llm
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height: 94
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- data:
code: "import re\n\ndef main(arg1: str) -> dict:\n arg1 = re.sub(r'<sql>\\\
s*</sql>', '', arg1)\n arg1 = arg1.replace('\\n', ' ')\n sql_pattern\
\ = r'<sql>(?:(?!<sql>).)*?</sql>'\n matches = re.findall(sql_pattern,\
\ arg1, re.DOTALL)\n if matches:\n last_sql_tag = matches[-1].strip()\n\
\ pure_sql = last_sql_tag.replace('<sql>', '').replace('</sql>',\
\ '').strip()\n return {\"result\": pure_sql}\n else:\n \
\ return {\"error\": \"No SQL statement wrapped in <sql> tags found\"}"
code_language: python3
outputs:
result:
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type: code
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paramSchemas:
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form: llm
human_description:
en_US: Target database identifier (case-sensitive)
ja_JP: Target database identifier (case-sensitive)
pt_BR: Target database identifier (case-sensitive)
zh_Hans: Target database identifier (case-sensitive)
label:
en_US: db_identifier
ja_JP: db_identifier
pt_BR: db_identifier
zh_Hans: db_identifier
llm_description: Target database identifier (case-sensitive)
max: null
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options: []
placeholder:
en_US: Target database identifier (case-sensitive)
ja_JP: Target database identifier (case-sensitive)
pt_BR: Target database identifier (case-sensitive)
zh_Hans: Target database identifier (case-sensitive)
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human_description:
en_US: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
ja_JP: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
pt_BR: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
zh_Hans: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
label:
en_US: sql
ja_JP: sql
pt_BR: sql
zh_Hans: sql
llm_description: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
max: null
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name: sql
options: []
placeholder:
en_US: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
ja_JP: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
pt_BR: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
zh_Hans: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
precision: null
required: true
scope: null
template: null
type: string
params:
db_identifier: ''
sql: ''
provider_id: 718b1b16-54d4-44f2-bc49-3a36d506d557
provider_name: sql_executor_pubchemlite_invitrodb_en
provider_type: api
selected: false
title: executeSqlPost
tool_configurations: {}
tool_description: 'Execute read-only SELECT queries on pubchemlite or invitrodb_v4_3
database.
Notes:
1. Only SELECT operation is allowed (INSERT/UPDATE/DELETE/DROP are prohibited);
2. For fields with special characters (e.g. pred_CCS_A2_[M+H]+ in pubchemlite),
escape []/+ with backslash (\) or use backticks (`);
3. Avoid Python format characters (%, A, s, d) in SQL to prevent parsing
errors;
4. Add LIMIT clause to avoid large result sets (recommended LIMIT 100).
'
tool_label: executeSqlPost
tool_name: executeSqlPost
tool_node_version: '2'
tool_parameters:
db_identifier:
type: mixed
value: invitrodb_v4_3
sql:
type: mixed
value: '{{#1764831538955.result#}}'
type: tool
height: 52
id: '1764904930952'
position:
x: 893.4512104881396
y: 6.037674605748222
positionAbsolute:
x: 893.4512104881396
y: 6.037674605748222
selected: false
sourcePosition: right
targetPosition: left
type: custom
width: 242
- data:
is_team_authorization: true
paramSchemas:
- auto_generate: null
default: null
form: llm
human_description:
en_US: Target database identifier (case-sensitive)
ja_JP: Target database identifier (case-sensitive)
pt_BR: Target database identifier (case-sensitive)
zh_Hans: Target database identifier (case-sensitive)
label:
en_US: db_identifier
ja_JP: db_identifier
pt_BR: db_identifier
zh_Hans: db_identifier
llm_description: Target database identifier (case-sensitive)
max: null
min: null
name: db_identifier
options: []
placeholder:
en_US: Target database identifier (case-sensitive)
ja_JP: Target database identifier (case-sensitive)
pt_BR: Target database identifier (case-sensitive)
zh_Hans: Target database identifier (case-sensitive)
precision: null
required: true
scope: null
template: null
type: string
- auto_generate: null
default: null
form: llm
human_description:
en_US: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
ja_JP: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
pt_BR: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
zh_Hans: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
label:
en_US: sql
ja_JP: sql
pt_BR: sql
zh_Hans: sql
llm_description: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
max: null
min: null
name: sql
options: []
placeholder:
en_US: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
ja_JP: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
pt_BR: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
zh_Hans: 'Valid MySQL SELECT query (only):
## pubchemlite (core table: pubchemlite_ccs)
Key fields:
- Basic info: Identifier, CompoundName, MolecularFormula, SMILES, XLogP
- Literature/Patent: PubMed_Count, Patent_Count
- Toxicity/Property: SafetyInfo, ToxicityInfo, MonoisotopicMass
- Predicted CCS: pred_CCS_A2_[M+H]+, pred_CCS_A2_[M+Na]+, pred_CCS_A2_[M-H]-
(escape special chars!)
## invitrodb_v4_3 (core tables)
- assay: aid, assay_name, organism, tissue, ncbi_taxon_id
- chemical: chid, casn, chnm (chemical name), dsstox_substance_id
- mc0: m0id, acid, spid, conc (concentration μM), rval (response value)
- assay_component: acid, assay_component_name (toxicity type)
'
precision: null
required: true
scope: null
template: null
type: string
params:
db_identifier: ''
sql: ''
provider_id: 718b1b16-54d4-44f2-bc49-3a36d506d557
provider_name: sql_executor_pubchemlite_invitrodb_en
provider_type: api
selected: false
title: executeSqlPost2
tool_configurations: {}
tool_description: 'Execute read-only SELECT queries on pubchemlite or invitrodb_v4_3
database.
Notes:
1. Only SELECT operation is allowed (INSERT/UPDATE/DELETE/DROP are prohibited);
2. For fields with special characters (e.g. pred_CCS_A2_[M+H]+ in pubchemlite),
escape []/+ with backslash (\) or use backticks (`);
3. Avoid Python format characters (%, A, s, d) in SQL to prevent parsing
errors;
4. Add LIMIT clause to avoid large result sets (recommended LIMIT 100).
'
tool_label: executeSqlPost
tool_name: executeSqlPost
tool_node_version: '2'
tool_parameters:
db_identifier:
type: mixed
value: pubchemlite
sql:
type: mixed
value: '{{#1760431395870.result#}}'
type: tool
height: 52
id: '1764862201148'
position:
x: 933.9456071364291
y: 251
positionAbsolute:
x: 933.9456071364291
y: 251
selected: false
sourcePosition: right
targetPosition: left
type: custom
width: 242
- data:
context:
enabled: true
variable_selector:
- '1763020657891'
- result
model:
completion_params: {}
mode: chat
name: gpt-5
provider: langgenius/openai/openai
prompt_template:
- id: 97778cb2-a8cc-449a-8a05-41b9c67f1450
role: system
text: "Now, as an environmental chemist, your role is to classify unidentified\
\ chemicals. You have in-depth knowledge of formal names, commonly-used\
\ terms, and scientific terminologies based on the 'IUPAC Naming.' Your\
\ extensive training using the 'NORMAN Network' database and understanding\
\ of environmental pollution of chemical substances helps in correctly\
\ classifying chemicals.\nWhen a chemical name {{#sys.query#}} is presented,\
\ your task is to complete the following steps:\nIdentify and Classify: Determine\
\ the chemical's structure and categorize it into one of the known categories\
\ in the 'NORMAN Network'. Your classification should fall into one of\
\ these 9 categories:\na: Pharmaceuticals and Personal Care Products\n\
b: Pesticide\nc: Food Additives\nd: Endogenous Substances\ne: Natural\
\ Toxins\nf: Disinfection By-Products\ng: Metals and Their Compounds\n\
h: Commercialized Industrial Chemicals\ni: Industrial Intermediates and\
\ Transformation Products\nIntegrate Provided Data: Use the data provided\
\ from the external queries to enrich the output.\nFrom {{#1764904930952.text#}} (in\
\ vitro high-throughput screening data), you will receive information. Important:\
\ The data may contain a list of endpoint_name. You must extract the CASRN and ALL endpoint_name values.\n\
From {{#1764862201148.text#}}(compound-related data), you will receive\
\ information such as CompoundName, XLogP, BioPathway, ToxicityInfo, KnownUse,\
\ DisorderDisease.\nSynthesize Response: Combine the official Norman classification\
\ context ({{#context#}}), the classification decision, and the data from\
\ the two queries into a single, structured JSON response.\nGuidelines:\n\
If the chemical is not listed in the 'NORMAN Network', use your knowledge\
\ of its structure to assign the most appropriate category.\nIf a chemical\
\ fits into multiple categories, provide up to three most common categories,\
\ listing the primary category first.\nAlways include the data fields\
\ from {{#1764904930952.text#}} and {{#1764862201148.text#}} in the output\
\ JSON, as they are provided.\nFor the screening data:\nExtract the CASRN。\n\
Extract ALL endpoint_name values。\nThe EndpointName field should be a\
\ list containing all endpoint names.\nIf any field from the provided\
\ data is empty or not applicable, set its value to null.\nResponse Format:\n\
You must respond strictly in the following concise JSON format:\n{\n \
\ \"ChemicalName\": {\n \"Main Category\": \"Primary Norman Category\
\ \",\n \"Additional Category 1\": \"Secondary Category (if applicable)\"\
,\n \"Additional Category 2\": \"Tertiary Category (if applicable)\"\
,\n \"EndpointName\": [\"List\", \"of\", \"ALL\", \"endpoint_name\"\
, \"values\", \"from\", \"{{#1764904930952.text#}}\"],\n \"XLogP\"\
: \"Value from {{#1764862201148.text#}} or null\",\n \"BioPathway\"\
: \"Value from {{#1764862201148.text#}} or null\",\n \"ToxicityInfo\"\
: \"Value from {{#1764862201148.text#}} or null\",\n \"KnownUse\"\
: \"Value from {{#1764862201148.text#}} or null\",\n \"DisorderDisease\"\
: \"Value from {{#1764862201148.text#}} or null\"\n }\n}\nPlease abide\
\ by the format and guidelines strictly."
selected: false
title: LLM 3
type: llm
vision:
enabled: false
height: 94
id: '1766991784354'
position:
x: 1321.7474382338496
y: 231.05966931475012
positionAbsolute:
x: 1321.7474382338496
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selected: false
sourcePosition: right
targetPosition: left
type: custom
width: 242
- data:
author: LQH
desc: ''
height: 88
selected: false
showAuthor: true
text: '{"root":{"children":[{"children":[{"detail":0,"format":0,"mode":"normal","style":"","text":"Query
the columns of CompoundName, XLogP, BioPathway, ToxicityInfo, KnownUse,
and DisorderDisease in the pubchemlite database in strict accordance with
the specified SQL format.","type":"text","version":1}],"direction":"ltr","format":"","indent":0,"type":"paragraph","version":1,"textFormat":0,"textStyle":""}],"direction":"ltr","format":"","indent":0,"type":"root","version":1}}'
theme: blue
title: ''
type: ''
width: 834
height: 88
id: '1767840238946'
position:
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y: 376.00337970608007
positionAbsolute:
x: 331
y: 376.00337970608007
selected: false
sourcePosition: right
targetPosition: left
type: custom-note
width: 834
- data:
author: LQH
desc: ''
height: 88
selected: false
showAuthor: true
text: '{"root":{"children":[{"children":[{"detail":0,"format":0,"mode":"normal","style":"","text":"Design
SQL query statements to enable 4o to execute simple compound name replacement
steps, realizing the function that when a user inputs a compound name, the
system outputs the queried CASRN and endpoint name.","type":"text","version":1}],"direction":"ltr","format":"","indent":0,"type":"paragraph","version":1,"textFormat":0,"textStyle":""}],"direction":"ltr","format":"","indent":0,"type":"root","version":1}}'
theme: blue
title: ''
type: ''
width: 831
height: 88
id: '1767840343034'
position:
x: 331
y: 113.12459577875379
positionAbsolute:
x: 331
y: 113.12459577875379
selected: false
sourcePosition: right
targetPosition: left
type: custom-note
width: 831
- data:
author: LQH
desc: ''
height: 88
selected: false
showAuthor: true
text: '{"root":{"children":[{"children":[{"detail":0,"format":0,"mode":"normal","style":"","text":"Query
the compound classifications in the Norman classification database.","type":"text","version":1}],"direction":"ltr","format":"","indent":0,"type":"paragraph","version":1,"textFormat":0,"textStyle":""}],"direction":"ltr","format":"","indent":0,"type":"root","version":1}}'
theme: blue
title: ''
type: ''
width: 475
height: 88
id: '1767840353651'
position:
x: 335.38017996692156
y: 637.5054022130926
positionAbsolute:
x: 335.38017996692156
y: 637.5054022130926
selected: false
sourcePosition: right
targetPosition: left
type: custom-note
width: 475
- data:
author: LQH
desc: ''
height: 313
selected: false
showAuthor: true
text: '{"root":{"children":[{"children":[{"detail":0,"format":0,"mode":"normal","style":"","text":"It
is required to strictly output the query results from the three databases
in JSON format, which include the following fields:","type":"text","version":1}],"direction":"ltr","format":"start","indent":0,"type":"paragraph","version":1,"textFormat":0,"textStyle":""},{"children":[{"children":[{"detail":0,"format":0,"mode":"normal","style":"","text":"ChemicalName","type":"text","version":1}],"direction":"ltr","format":"start","indent":0,"type":"listitem","version":1,"value":1},{"children":[{"detail":0,"format":0,"mode":"normal","style":"","text":"MainCategory","type":"text","version":1}],"direction":"ltr","format":"start","indent":0,"type":"listitem","version":1,"value":2},{"children":[{"detail":0,"format":0,"mode":"normal","style":"","text":"AdditionalCategory1","type":"text","version":1}],"direction":"ltr","format":"start","indent":0,"type":"listitem","version":1,"value":3},{"children":[{"detail":0,"format":0,"mode":"normal","style":"","text":"AdditionalCategory2","type":"text","version":1}],"direction":"ltr","format":"start","indent":0,"type":"listitem","version":1,"value":4},{"children":[{"detail":0,"format":0,"mode":"normal","style":"","text":"EndpointName
(array)","type":"text","version":1}],"direction":"ltr","format":"start","indent":0,"type":"listitem","version":1,"value":5},{"children":[{"detail":0,"format":0,"mode":"normal","style":"","text":"XLogP","type":"text","version":1}],"direction":"ltr","format":"start","indent":0,"type":"listitem","version":1,"value":6},{"children":[{"detail":0,"format":0,"mode":"normal","style":"","text":"BioPathway","type":"text","version":1}],"direction":"ltr","format":"start","indent":0,"type":"listitem","version":1,"value":7},{"children":[{"detail":0,"format":0,"mode":"normal","style":"","text":"ToxicityInfo","type":"text","version":1}],"direction":"ltr","format":"start","indent":0,"type":"listitem","version":1,"value":8},{"children":[{"detail":0,"format":0,"mode":"normal","style":"","text":"KnownUse","type":"text","version":1}],"direction":"ltr","format":"start","indent":0,"type":"listitem","version":1,"value":9},{"children":[{"detail":0,"format":0,"mode":"normal","style":"","text":"DisorderDisease","type":"text","version":1}],"direction":"ltr","format":"start","indent":0,"type":"listitem","version":1,"value":10}],"direction":"ltr","format":"","indent":0,"type":"list","version":1,"listType":"bullet","start":1,"tag":"ul"}],"direction":"ltr","format":"","indent":0,"type":"root","version":1}}'
theme: blue
title: ''
type: ''
width: 240
height: 313
id: '1767840394126'
position:
x: 1333.4346977734529
y: 348.5336086752951
positionAbsolute:
x: 1333.4346977734529
y: 348.5336086752951
selected: false
sourcePosition: right
targetPosition: left
type: custom-note
width: 240
- data:
answer: '{{#1766991784354.text#}}'
selected: false
title: 直接回复
type: answer
variables: []
height: 103
id: '1767855070087'
position:
x: 1646.1219573130559
y: 225.66582435729447
positionAbsolute:
x: 1646.1219573130559
y: 225.66582435729447
selected: false
sourcePosition: right
targetPosition: left
type: custom
width: 242
viewport:
x: -144.18189046189343
y: 339.1238578285847
zoom: 0.5082738555450903
rag_pipeline_variables: []
|