ASBase is a molecular information database with spectral data as its core. It provides simple and fast retrieval of photophysical properties of compounds, and achieves theoretical prediction of materials based on computational chemistry, big data and AI.
- Names, formula & CAS
- Spectra data, range & peaks
- Thermal properties, & solubility
- Application fields & details
- Create structure-based queries
- Draw structures online
- Recognize & sanitize SMILES patterns
- Virtrual screening for chemiformatics
- Statistical report of data collection
- Interactive spectra viewer
- Machine learning API
- ASWiki