ChemSpider
ChemSpider aggregates data on nearly 25 million unique chemical compounds sourced from over 400 data sources, providing molecular structures, physical and chemical properties, spectral data, nomenclature, safety information, and synthetic methods to support chemical research and analysis.
Key Features:
- Chemical Properties: Provides molecular structures and detailed physical and chemical properties for compounds.
- Spectral Data: Includes spectral data associated with many compound entries.
- Synthetic Methods: Contains information on synthetic methods related to specific compounds.
- Safety Information: Includes safety and hazard information for compounds.
- Nomenclature: Provides standardized chemical nomenclature for compounds.
- Data Integration: Aggregates compound records from over 400 distinct data sources across the web.
- Search Capabilities: Supports searches by molecular structure, chemical name, and molecular formula.
Scientific Applications:
- Research: Enables retrieval of compound data to support experimental design, property analysis, and hypothesis testing.
- Education: Provides real-world compound examples and data for teaching chemistry and chemical informatics.
- Development: Informs materials and pharmaceutical development through access to compound properties and synthesis information.
Methodology:
Aggregates and indexes compound data from over 400 data sources and enables searches by molecular structure, name, and formula.
Topics
Details
- Tool Type:
- api
- Operating Systems:
- Linux, Windows, Mac
- Added:
- 8/3/2015
- Last Updated:
- 4/15/2021
Operations
Publications
Pence HE, Williams A. ChemSpider: An Online Chemical Information Resource. Journal of Chemical Education. 2010;87(11):1123-1124. doi:10.1021/ed100697w.
DOI: 10.1021/ed100697w
Documentation
General
http://www.chemspider.com/Links
Software catalogue
https://www.biocatalogue.org/services/1932