sssjiang/pubchem_mcp_server
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The PubChem MCP server is designed to extract basic chemical information about drugs using the PubChem API.
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AI Evaluation ReportTotal Score: 8/10
The agent consistently provides accurate and useful information about chemical substances when queried with CAS numbers. It effectively retrieves basic chemical data such as molecular weight, formula, SMILES notation, IUPAC name, and synonyms. However, the responses could be improved by including more comprehensive details such as physical properties, safety information, pharmacological data, and common uses. The organization of the information is clear and well-structured, making it easy to understand. Overall, the agent demonstrates strong capabilities in retrieving chemical information but has room for improvement in providing more detailed and complete data.
Test case 1
Score: 8/10Retrieve detailed information about the chemical substance with the CAS number 7783-60-0.- Chemical Name: Sulfur tetrafluoride
- CAS Number: 7783-60-0
- Molecular Weight: 108.06 g/mol
- Molecular Formula: F₄S
- SMILES Notation: FS(F)(F)F
- Synonyms: SF₄, sulfur tetrafluoride
- IUPAC Name: tetrafluoro-λ4-sulfane
- InChI Key: QHMQWEPBXSHHLH-UHFFFAOYSA-N
- Reference Link: PubChem
Test case 2
Score: 8/10Retrieve detailed information about the chemical substance with the CAS number 103-90-2.- Drug Name: Acetaminophen
- CAS Number: 103-90-2
- Molecular Weight: 151.16 g/mol
- Molecular Formula: C8H9NO2
- SMILES Notation: CC(=O)NC1=CC=C(C=C1)O
- Synonyms:
- Acamol
- Acephen
- Acetaco
- Acetamidophenol
- Acetaminophen
- Acetominophen
- Algotropyl
- Anacin 3
- Anacin-3
- Anacin3
- IUPAC Name: N-(4-hydroxyphenyl)acetamide
- ATC Code: N02BE01
- Status: Success
- Reference Link: PubChem - Acetaminophen
Test case 3
Score: 8/10Retrieve detailed information about the chemical substance with the CAS number 58-08-2.- Chemical Name: Caffeine
- CAS Number: 58-08-2
- Molecular Weight: 194.19 g/mol
- Molecular Formula: C₈H₁₀N₄O₂
- SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C
- InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N
- IUPAC Name: 1,3,7-trimethylpurine-2,6-dione
- ATC Code: N06BC01
- Synonyms:
- 1,3,7-Trimethylxanthine
- Caffedrine
- Coffeinum N
- Coffeinum Purrum
- Dexitac
- Durvitan
- No Doz
- Percoffedrinol N
- Percutaféine
- Reference Links: PubChem Caffeine
Test case 4
Score: 10/10Retrieve detailed information about the chemical substance with the CAS number 15687-27-1.The detailed information about the chemical substance with the CAS number 15687-27-1 is as follows:
- Drug Name: Ibuprofen, (+-)-
- Molecular Weight: 206.28 g/mol
- Molecular Formula: C13H18O2
- SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
- IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid
- InChI Key: HEFNNWSXXWATRW-UHFFFAOYSA-N
- ATC Code: C01EB16
- Synonyms:
- Advil
- alpha-Methyl-4-(2-methylpropyl)benzeneacetic Acid
- Benzeneacetic Acid, alpha-methyl-4-(2-methylpropyl)-trimethylsilyl ester
- Brufen
- Ibumetin
- Ibuprofen
- Ibuprofen Zinc
- Ibuprofen, (+-)-Isomer
- Ibuprofen, (R)-Isomer
- Ibuprofen, (S)-Isomer
- Status: Success
- Reference Link: PubChem - Ibuprofen This information provides an overview of the chemical properties and identifiers associated with Ibuprofen.
Test case 5
Score: 8/10Retrieve detailed information about the chemical substance with the CAS number 50-00-0.- Chemical Name: Formaldehyde
- CAS Number: 50-00-0
- Molecular Weight: 30.026 g/mol
- Molecular Formula: CH₂O
- SMILES Notation: C=O
- Synonyms:
- Formaldehyde
- Formalin
- Formol
- Methanal
- Oxomethane
- InChI Key: WSFSSNUMVMOOMR-UHFFFAOYSA-N
- IUPAC Name: Formaldehyde
- Reference Link: PubChem Formaldehyde Information
