FREE / OPEN Chemistry Data
- BRENDA, the Comprehensive Enzyme Information System (Free/Open): https://www.brenda-enzymes.org
Data on enzyme function extracted directly from the primary literature with links to other enzyme information sources.
- ChemSpider (Free/Open): http://www.chemspider.com
Web based search engine of chemical structures and associated property information with links to other online chemical data services.
- EPA Chemistry Dashboard (Free/Open): https://comptox.epa.gov/dashboard
Suite of computational toxicology databases and web apps to compile chemical data and support evaluation for potential health risks.
- MassBank: consortium of public repositories of high-resolution mass spectral data in the life sciences. •
- MatNavi (Free/Open): http://mits.nims.go.jp/index_en.html
Several materials databases including measured and predicted thermodynamic and structural properties.
- NIST Chemistry Webbook (Free/Open): http://purl.access.gpo.gov/GPO/LPS87332
•Thermochemical, spectral and basic property data for small organic and inorganic compounds.
- OrgSyn (Free/Open): http://www.orgsyn.org
Detailed and carefully checked procedures for the synthesis of organic compounds.
- Protein Data Bank (Free/Open): https://www.rcsb.org
Repository of macromolecular structural data, including proteins and nucleic acids.
- PubChem (Free/Open): https://pubchem.ncbi.nlm.nih.gov/search
Chemical substances, compound structures and bioactivity data compiled from many US and international agencies and cross-liinked from PubMed.
- SpectraBase (Free/Open): https://spectrabase.com
Fast text searchable access to hundreds of thousands of free NMR, IR, Raman, UV-Vis, and mass spectra.
- Spectral Database for Organic Compounds (Free/Open): https://sdbs.db.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng
Spectral database for organic compounds including EI-MS, FT-IR, proton NMR, 13C NMR, Raman, and ESR.