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Skill v1.0.1
currentAutomated scan100/100internscience/scp/functional-group-profiling
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version: "1.0.1" name: functional_group_profiling description: "Functional Group Profiling - Profile functional groups: radical assignment, H-bond analysis, aromaticity, and abbreviation condensation. Use this skill for organic chemistry tasks involving AssignRadicals GetHBANum AromaticityAnalyzer CondenseAbbreviationSubstanceGroups. Combines 4 tools from 2 SCP server(s)."
Functional Group Profiling
Discipline: Organic Chemistry | Tools Used: 4 | Servers: 2
Description
Profile functional groups: radical assignment, H-bond analysis, aromaticity, and abbreviation condensation.
Tools Used
- `AssignRadicals` from
server-31(sse) -https://scp.intern-ai.org.cn/api/v1/mcp/31/SciToolAgent-Chem - `GetHBANum` from
server-31(sse) -https://scp.intern-ai.org.cn/api/v1/mcp/31/SciToolAgent-Chem - `AromaticityAnalyzer` from
server-28(sse) -https://scp.intern-ai.org.cn/api/v1/mcp/28/InternAgent - `CondenseAbbreviationSubstanceGroups` from
server-31(sse) -https://scp.intern-ai.org.cn/api/v1/mcp/31/SciToolAgent-Chem
Workflow
- Assign radical sites
- Count H-bond acceptors
- Analyze aromaticity
- Condense substance groups
Test Case
Input
json
{"smiles": "CC(=O)Oc1ccccc1C(=O)O"}
Expected Steps
- Assign radical sites
- Count H-bond acceptors
- Analyze aromaticity
- Condense substance groups
Usage Example
Note: Replace<YOUR_SCP_HUB_API_KEY>with your own SCP Hub API Key. You can obtain one from the SCP Platform.
python
import asyncioimport jsonfrom mcp import ClientSessionfrom mcp.client.streamable_http import streamablehttp_clientfrom mcp.client.sse import sse_clientSERVERS = {"server-31": "https://scp.intern-ai.org.cn/api/v1/mcp/31/SciToolAgent-Chem","server-28": "https://scp.intern-ai.org.cn/api/v1/mcp/28/InternAgent"}async def connect(url, transport_type):transport = streamablehttp_client(url=url, headers={"SCP-HUB-API-KEY": "<YOUR_SCP_HUB_API_KEY>"})read, write, _ = await transport.__aenter__()ctx = ClientSession(read, write)session = await ctx.__aenter__()await session.initialize()return session, ctx, transportdef 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.textreturn str(result)except: return str(result)async def main():# Connect to required serverssessions = {}sessions["server-31"], _, _ = await connect("https://scp.intern-ai.org.cn/api/v1/mcp/31/SciToolAgent-Chem", "sse")sessions["server-28"], _, _ = await connect("https://scp.intern-ai.org.cn/api/v1/mcp/28/InternAgent", "sse")# Execute workflow steps# Step 1: Assign radical sitesresult_1 = await sessions["server-31"].call_tool("AssignRadicals", arguments={})data_1 = parse(result_1)print(f"Step 1 result: {json.dumps(data_1, indent=2, ensure_ascii=False)[:500]}")# Step 2: Count H-bond acceptorsresult_2 = await sessions["server-31"].call_tool("GetHBANum", arguments={})data_2 = parse(result_2)print(f"Step 2 result: {json.dumps(data_2, indent=2, ensure_ascii=False)[:500]}")# Step 3: Analyze aromaticityresult_3 = await sessions["server-28"].call_tool("AromaticityAnalyzer", arguments={})data_3 = parse(result_3)print(f"Step 3 result: {json.dumps(data_3, indent=2, ensure_ascii=False)[:500]}")# Step 4: Condense substance groupsresult_4 = await sessions["server-31"].call_tool("CondenseAbbreviationSubstanceGroups", arguments={})data_4 = parse(result_4)print(f"Step 4 result: {json.dumps(data_4, indent=2, ensure_ascii=False)[:500]}")# Cleanupprint("Workflow complete!")if __name__ == "__main__":asyncio.run(main())