Computationally Predicted Properties of Menthol and Cooling Agents

Saibal Chakraborty created a summary of computationally predicted physico-chemical properties for menthol and cooling agents. The dataset is based on 180 unique 2-D chemical structures and was last updated on April 16, 2026. It is available as a 5.5 KB Excel file.

Use Cases

• Compare predicted physico-chemical properties of menthol against other cooling agents based on the 180 chemical structures.
• Screen candidate molecules for cooling effects based on computationally predicted properties.
• Validate computational prediction models for chemical properties using a curated set of cooling agents.

Strengths

• Dataset is based on 180 unique 2-D chemical structures.
• Properties are computationally predicted, providing a consistent calculation method.
• File size is 5.5 KB, indicating a focused and manageable dataset.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Collection Method

Computationally predicted properties based on 2-D chemical structures.

Freshness

Last updated 2026-04-16 17:43:01; freshness should be verified.