PubChem Chemical Safety MCP Server

""" 数据模型定义 """ from typing import List, Optional, Dict, Any from pydantic import BaseModel, Field class CompoundInfo(BaseModel): """化合物基础信息""" cid: Optional[int] = None name: str molecular_formula: Optional[str] = None molecular_weight: Optional[float] = None iupac_name: Optional[str] = None synonyms: List[str] = Field(default_factory=list) smiles: Optional[str] = None inchi_key: Optional[str] = None class GHSPictogram(BaseModel): """GHS象形图信息""" code: str url: str description: str class SafetyInfo(BaseModel): """安全分类信息""" model_config = {"exclude_unset": True} cid: int signal_word: Optional[str] = None ghs_pictograms: Optional[List[GHSPictogram]] = None ghs_hazard_statements: Optional[List[str]] = None precautionary_statements: Optional[List[str]] = None regulatory_info: Optional[List[Dict[str, Any]]] = None fire_fighting: Optional[List[Dict[str, Any]]] = None other_safety_info: Optional[List[Dict[str, Any]]] = None ghs_classification: Optional[List[Dict[str, Any]]] = None class ToxicityData(BaseModel): """毒性数据 - 支持所有PubChem Toxicity字段""" model_config = { "exclude_unset": True, "extra": "allow" # 允许额外字段，支持所有Toxicity子分类 } cid: int # 常见的毒性数据字段（这些字段总是可选的） toxicity_summary: Optional[List[Dict[str, Any]]] = None niosh_toxicity_data: Optional[List[Dict[str, Any]]] = None carcinogen_classification: Optional[List[Dict[str, Any]]] = None health_effects: Optional[List[Dict[str, Any]]] = None signs_and_symptoms: Optional[List[Dict[str, Any]]] = None acute_effects: Optional[List[Dict[str, Any]]] = None human_toxicity_excerpts: Optional[List[Dict[str, Any]]] = None non_human_toxicity_excerpts: Optional[List[Dict[str, Any]]] = None non_human_toxicity_values: Optional[List[Dict[str, Any]]] = None # 生态毒性数据 ecotoxicity_values: Optional[List[Dict[str, Any]]] = None ecotoxicity_excerpts: Optional[List[Dict[str, Any]]] = None environmental_fate: Optional[List[Dict[str, Any]]] = None # 其他所有字段通过extra="allow"自动支持 class ErrorResponse(BaseModel): """错误响应""" error: str details: Optional[str] = None