pubchem_mcp_server

Evaluation

Total Score: 7/10

Evaluation Summary:

• Strengths:
• 1. Accuracy/Correctness: The agent consistently provides accurate chemical information, including correct CAS numbers, molecular weights, SMILES notations, IUPAC names, and InChI Keys for various substances.
• 2. Consistency with Claimed Capabilities: The agent reliably retrieves detailed information about chemical substances using their names or CAS numbers, as claimed.
• 3. Usefulness / Clarity: The information is presented in a clear and organized manner, making it easy for users to understand the chemical properties and identifiers of the substances.
• Weaknesses:
• 1. Character Encoding Issues: There are recurring character encoding issues with the molecular formulas, which could confuse readers. This affects the clarity of the information presented.
• 2. Limited Physical and Chemical Properties: The agent often lacks detailed physical and chemical properties such as boiling point, melting point, density, and solubility, which are crucial for a comprehensive understanding of the substances.
• 3. Limited Safety Information: The agent provides minimal safety information, lacking specific data such as permissible exposure limits, flammability, handling precautions, and first-aid measures.
• Suggestions for Improvement:
• • Correct Encoding Issues: Ensure that special characters, such as subscript numbers in chemical formulas, are properly encoded and displayed.
• • Include Additional Information: Add detailed physical and chemical properties and comprehensive safety information to enhance the completeness of the responses.
• Final Score: The agent demonstrates strong accuracy and clarity but is hindered by encoding issues and limited additional information. Therefore, the final score is 7/10.

• Test case 1

  Score: 9/10

  Retrieve detailed information about the chemical substance 'Aspirin'.

  Here is the detailed information about the chemical substance Aspirin:

  • Drug Name: Aspirin
  • CAS Number: 50-78-2
  • Molecular Weight: 180.16 g/mol
  • Molecular Formula: C₉H₈O₄
  • SMILES: CC(=O)OC1=CC=CC=C1C(=O)O
  • IUPAC Name: 2-acetyloxybenzoic acid
  • InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
  • ATC Code: N02BA01
  • Synonyms:
    • 2-(Acetyloxy)benzoic Acid
    • Acetylsalicylic Acid
    • Acetysal
    • Acid, Acetylsalicylic
    • Acylpyrin
    • Aloxiprimum
    • Colfarit
    • Dispril
    • Easprin
  • Reference Links: PubChem Link

  If you need more specific information or have further questions, feel free to ask!

• Test case 2

  Score: 7/10

  Can you provide detailed information about the chemical substance with CAS number 64-17-5?

  The chemical substance with CAS number 64-17-5 is Ethanol. Here are the detailed specifications:

  • Common Name: Ethanol
  • Molecular Weight: 46.07 g/mol
  • Molecular Formula: C₂H₆O
  • SMILES Notation: CCO
  • IUPAC Name: Ethanol
  • InChI Key: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
  • Synonyms:
    • Absolute Alcohol
    • Alcohol, Absolute
    • Alcohol, Ethyl
    • Alcohol, Grain
    • Ethyl Alcohol
    • Grain Alcohol
  • ATC Code: D08AX08
  • Status: Success
  • Reference Link: PubChem - Ethanol

  If you need more information or specific details about its properties, uses, or safety data, feel free to ask!

  1. The agent correctly identifies the chemical substance with CAS number 64-17-5 as Ethanol.

  2. The molecular weight is accurately stated as 46.07 g/mol.

  3. The SMILES notation "CCO" and the IUPAC name "Ethanol" are correct.

  4. The InChI Key "LFQSCWFLJHTTHZ-UHFFFAOYSA-N" is accurate.

  5. The ATC Code "D08AX08" is correctly provided.

  6. The synonyms listed, such as "Absolute Alcohol," "Ethyl Alcohol," and "Grain Alcohol," are appropriate.

  7. The reference link to PubChem is relevant and directs to the correct compound.

  8. The response includes essential chemical identifiers and synonyms.

  9. The agent offers to provide more information on properties, uses, or safety data upon request.

  10. The agent claims to retrieve detailed information about chemical substances using their CAS numbers and successfully delivers on this promise.

  11. The information is presented in a clear and organized manner, making it easy for users to understand the chemical properties and identifiers of Ethanol.

  1. The molecular formula is displayed as "C₂H₆O" instead of "C₂H₆O." This appears to be a character encoding issue, which could confuse readers.

  2. The response lacks detailed physical and chemical properties such as boiling point, melting point, density, and solubility, which are crucial for a comprehensive understanding of the substance.

  3. The response does not include safety information, such as hazard classifications, flammability, and handling precautions, which are important for users dealing with the chemical.

• Test case 3

  Score: 7/10

  Can you provide detailed information about the chemical substance 'Caffeine'?

  Here is the detailed information about the chemical substance Caffeine:

  • Drug 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

  You can find more information about caffeine at this link.

  If you have any more questions or need further information, feel free to ask!

  1. The agent correctly identifies the chemical substance as Caffeine with the CAS number 58-08-2.

  2. The molecular weight is accurately stated as 194.19 g/mol.

  3. The SMILES notation "CN1C=NC2=C1C(=O)N(C(=O)N2C)C" and the InChI Key "RYYVLZVUVIJVGH-UHFFFAOYSA-N" are correct.

  4. The IUPAC name "1,3,7-trimethylpurine-2,6-dione" is accurate.

  5. The ATC Code "N06BC01" is correctly provided.

  6. The synonyms listed, such as "1,3,7-Trimethylxanthine," "Caffedrine," and "No Doz," are appropriate.

  7. The reference link to PubChem is relevant and directs to the correct compound.

  8. The response includes essential chemical identifiers and synonyms.

  9. The agent offers to provide more information upon request.

  10. The agent claims to retrieve detailed information about chemical substances and successfully delivers on this promise.

  11. The information is presented in a clear and organized manner, making it easy for users to understand the chemical properties and identifiers of Caffeine.

  1. The molecular formula is displayed as "C₈H₁₀N₄O₂" instead of "C₈H₁₀N₄O₂." This appears to be a character encoding issue, which could confuse readers.

  2. The response lacks detailed physical and chemical properties such as melting point, boiling point, density, and solubility, which are crucial for a comprehensive understanding of the substance.

  3. The response does not include safety information, such as hazard classifications, flammability, and handling precautions, which are important for users dealing with the chemical.

• Test case 4

  Score: 7/10

  Can you provide detailed information about the chemical substance 'Benzene'? Include its molecular weight, molecular formula, SMILES notation, IUPAC name, and any relevant safety information.

  Here is the detailed information about the chemical substance Benzene:

  • IUPAC Name: Benzene
  • CAS Number: 71-43-2
  • Molecular Formula: C₆H₆
  • Molecular Weight: 78.11 g/mol
  • SMILES Notation: C1=CC=CC=C1
  • Synonyms: Benzene, Benzol, Benzole, Cyclohexatriene
  • InChI Key: UHOVQNZJYSORNB-UHFFFAOYSA-N
  • Reference Link: PubChem Benzene

  Safety Information:

  Benzene is known to be a carcinogenic substance and can pose various health risks upon exposure. It is advisable to handle it in a well-ventilated area and use appropriate personal protective equipment (PPE). Long-term exposure can lead to serious health issues, including bone marrow damage and blood disorders.

  If you need more specific safety data or additional information, feel free to ask!

  1. The agent correctly identifies benzene with the CAS number 71-43-2.

  2. The molecular weight is accurately stated as 78.11 g/mol.

  3. The SMILES notation "C1=CC=CC=C1" and the IUPAC name "Benzene" are correct.

  4. The InChI Key "UHOVQNZJYSORNB-UHFFFAOYSA-N" is accurate.

  5. The synonyms listed, such as "Benzol" and "Cyclohexatriene," are appropriate.

  6. The reference link to PubChem is relevant and directs to the correct compound.

  7. The response includes essential chemical identifiers and synonyms.

  8. The agent provides a brief overview of safety information, mentioning benzene's carcinogenic nature and associated health risks.

  9. The agent claims to retrieve detailed information about chemical substances and successfully delivers on this promise.

  10. The information is presented in a clear and organized manner, making it easy for users to understand the chemical properties and identifiers of benzene.

  1. The molecular formula is displayed as "C₆H₆" instead of "C₆H₆." This appears to be a character encoding issue, which could confuse readers.

  2. The response lacks detailed physical and chemical properties such as boiling point, melting point, density, and solubility, which are crucial for a comprehensive understanding of the substance.

  3. While the agent mentions benzene's carcinogenic nature and associated health risks, it does not provide specific safety data such as permissible exposure limits, flammability, and handling precautions.

• Test case 5

  Score: 7/10

  Can you provide detailed information about the chemical substance 'Sulfuric Acid', including its molecular weight, molecular formula, SMILES notation, IUPAC name, and any relevant safety information?

  Here is the detailed information about the chemical substance Sulfuric Acid:

  • Common Name: Sulfuric Acid
  • IUPAC Name: Sulfuric acid
  • CAS Number: 7664-93-9
  • Molecular Formula: H₂SO₄
  • Molecular Weight: 98.08 g/mol
  • SMILES Notation: OS(=O)(=O)O
  • InChI Key: QAOWNCQODCNURD-UHFFFAOYSA-N
  • Synonyms: sulfuric acid

  Safety Information:

  • Sulfuric Acid is a highly corrosive substance and can cause severe burns.
  • It is important to handle it with care, using appropriate personal protective equipment (PPE) such as gloves and face shields.
  • In case of contact with skin or eyes, rinse immediately with plenty of water and seek medical attention.

  For more detailed information, you can refer to PubChem.

  If you have any more questions or need further details, feel free to ask!

  1. The agent correctly identifies sulfuric acid with the CAS number 7664-93-9.

  2. The molecular weight is accurately stated as 98.08 g/mol.

  3. The SMILES notation "OS(=O)(=O)O" and the IUPAC name "Sulfuric acid" are correct.

  4. The InChI Key "QAOWNCQODCNURD-UHFFFAOYSA-N" is accurate.

  5. The reference link to PubChem is relevant and directs to the correct compound.

  6. The response includes essential chemical identifiers and a brief mention of safety information.

  7. The agent claims to retrieve detailed information about chemical substances and successfully delivers on this promise.

  8. The information is presented in a clear and organized manner, making it easy for users to understand the chemical properties and identifiers of sulfuric acid.

  1. The molecular formula is displayed as "H₂SO₄" instead of "H₂SO₄." This appears to be a character encoding issue, which could confuse readers.

  2. The response lacks detailed physical and chemical properties such as boiling point, melting point, density, and solubility, which are crucial for a comprehensive understanding of the substance.

  3. While the agent mentions that sulfuric acid is highly corrosive and can cause severe burns, it does not provide specific safety data such as permissible exposure limits, flammability, handling precautions, and first-aid measures.