Various PubChem Lists: 8 Chemical Sets for Parkinson's Disease and Related Disorders

A collection of 8 lists of chemicals associated with Parkinson's disease and related disorders, created by Begoña Talavera Andújar at the University of Luxembourg. The lists were generated by exploring PubChem functionality that links Medical Subject Headings (MeSH) disease information to chemicals. Details are available in a published manuscript (https://doi.org/10.1007/s00216-022-04207-z).

Use Cases

• Prioritizing candidate chemicals for drug discovery based on associations with Parkinson's disease and related conditions.
• Validating computational toxicology models using the list of 296 chemicals from the Comparative Toxicogenomic Database (CTD).
• Analyzing chemical overlap between neurodegenerative disorders using the PD-MetFrag list of 21,303 chemicals.
• Investigating comorbidities by studying chemical associations with related symptoms like depression, anxiety, and sleep disorders.

Strengths

• Includes a large PD-MetFrag list of 21,303 chemicals related to multiple neurodegenerative disorders.
• Provides a focused CTD-derived list of 296 chemicals specifically associated with Parkinson's disease.
• Covers a range of related disorders with specific list sizes, such as 8,433 chemicals for anxiety and 2,781 for sleep-wake disorders.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count for the overall collection is unknown, which may limit suitability assessment.
• Last update date is unknown; freshness unverified.

Provenance

Source

University of Luxembourg, paperswithcode platform.

Collection Method

Lists created by exploring PubChem functionality linking Medical Subject Headings (MeSH) disease endpoints to chemicals.