bioassay_analysis: Скилл для анализа данных биоисследований

--- name: bioassay_analysis description: "Bioassay Data Analysis - Analyze bioassay data: PubChem assay summary, ChEMBL activity search, compound properties, and target info. Use this skill for bioassay science tasks involving get assay summary by cid search activity calculate mol basic info get target by name. Combines 4 tools from 3 SCP server(s)." --- # Bioassay Data Analysis **Discipline**: Bioassay Science | **Tools Used**: 4 | **Servers**: 3 ## Description Analyze bioassay data: PubChem assay summary, ChEMBL activity search, compound properties, and target info. ## Tools Used - **`get_assay_summary_by_cid`** from `pubchem-server` (streamable-http) - `https://scp.intern-ai.org.cn/api/v1/mcp/8/Origene-PubChem` - **`search_activity`** from `chembl-server` (streamable-http) - `https://scp.intern-ai.org.cn/api/v1/mcp/4/Origene-ChEMBL` - **`calculate_mol_basic_info`** from `server-2` (streamable-http) - `https://scp.intern-ai.org.cn/api/v1/mcp/2/DrugSDA-Tool` - **`get_target_by_name`** from `chembl-server` (streamable-http) - `https://scp.intern-ai.org.cn/api/v1/mcp/4/Origene-ChEMBL` ## Workflow 1. Get PubChem bioassay summary 2. Search ChEMBL activities 3. Calculate compound properties 4. Get target information ## Test Case ### Input ```json { "cid": 2244, "target": "cyclooxygenase" } ``` ### Expected Steps 1. Get PubChem bioassay summary 2. Search ChEMBL activities 3. Calculate compound properties 4. Get target information ## Usage Example > **Note:** Replace `sk-b04409a1-b32b-4511-9aeb-22980abdc05c` with your own SCP Hub API Key. You can obtain one from the [SCP Platform](https://scphub.intern-ai.org.cn). ```python import asyncio import json from contextlib import AsyncExitStack from mcp import ClientSession from mcp.client.streamable_http import streamablehttp_client from mcp.client.sse import sse_client SERVERS = { "pubchem-server": "https://scp.intern-ai.org.cn/api/v1/mcp/8/Origene-PubChem", "chembl-server": "https://scp.intern-ai.org.cn/api/v1/mcp/4/Origene-ChEMBL", "server-2": "https://scp.intern-ai.org.cn/api/v1/mcp/2/DrugSDA-Tool" } async def connect(url, stack): transport = streamablehttp_client(url=url, headers={"SCP-HUB-API-KEY": "sk-b04409a1-b32b-4511-9aeb-22980abdc05c"}) read, write, _ = await stack.enter_async_context(transport) ctx = ClientSession(read, write) session = await stack.enter_async_context(ctx) await session.initialize() return session def parse(result): try: if hasattr(result, 'content') and result.content: c = result.content[0] if hasattr(c, 'text'): try: return json.loads(c.text) except: return c.text return str(result) except: return str(result) async def main(): async with AsyncExitStack() as stack: # Connect to required servers sessions = {} sessions["pubchem-server"] = await connect("https://scp.intern-ai.org.cn/api/v1/mcp/8/Origene-PubChem", stack) sessions["chembl-server"] = await connect("https://scp.intern-ai.org.cn/api/v1/mcp/4/Origene-ChEMBL", stack) sessions["server-2"] = await connect("https://scp.intern-ai.org.cn/api/v1/mcp/2/DrugSDA-Tool", stack) # Execute workflow steps # Step 1: Get PubChem bioassay summary result_1 = await sessions["pubchem-server"].call_tool("get_assay_summary_by_cid", arguments={}) data_1 = parse(result_1) print(f"Step 1 result: {json.dumps(data_1, indent=2, ensure_ascii=False)[:500]}") # Step 2: Search ChEMBL activities result_2 = await sessions["chembl-server"].call_tool("search_activity", arguments={}) data_2 = parse(result_2) print(f"Step 2 result: {json.dumps(data_2, indent=2, ensure_ascii=False)[:500]}") # Step 3: Calculate compound properties result_3 = await sessions["server-2"].call_tool("calculate_mol_basic_info", arguments={}) data_3 = parse(result_3) print(f"Step 3 result: {json.dumps(data_3, indent=2, ensure_ascii=False)[:500]}") # Step 4: Get target information result_4 = await sessions["chembl-server"].call_tool("get_target_by_name", arguments={}) data_4 = parse(result_4) print(f"Step 4 result: {json.dumps(data_4, indent=2, ensure_ascii=False)[:500]}") # Cleanup print("Workflow complete!") if __name__ == "__main__": asyncio.run(main()) ```