Paramus CDB
Compound Spectra Database for browsing compounds and analytical spectra: NMR (1H, 13C, HSQC, COSY), IR, UV-Vis, XRPD. Interactive Plotly spectrum viewer with Lorentzian/Gaussian line shapes and RDKit structure rendering.
| Version | 0.1.0 |
|---|---|
| Creator | PARAMUS Team |
Features
- Spectrum types: NMR (1H, 13C, HSQC, COSY), IR, UV-Vis, XRPD, generic XY
- Lorentzian/Gaussian spectral data generation with noise
- RDKit 2D structure rendering (SVG) from SMILES
- Compound search by name, ID, formula, CAS, category, spectrum type
- KPI dashboard: compound count, spectra count, type breakdown
- MCP tools: 4 (list, get, search, statistics)
Keywords
CDBcompound databasespectraNMRIRUV-VisXRPDRDKitPlotly