EXAMPLES


 

1. DATABASE: Search Data

✔ Start search by giving chemical  name, molecular formula or CAS  number
✔ Select chemical to retrieve its data

example_1

 

2. DATABASE: Retrieve Data

✔ View chemical properties

example_2

 

3. DATABASE: Retrieve Data

✔ View hazard properties

example_3

 

4. DATABASE: Retrieve Data

✔ View chemical uses

example_4

 

5. PROPERTY PREDICTION: Pure Compound Property

✔ Draw the molecular structure (or give its SMILES)
✔ View the calculated properties

Highlights:
✔ 57 Single value pure compound properties
✔ 9 Temperature dependent functional properties plus regression of parameters
✔ GC-based PC-SAFT for Hvap, Pvap, Density, Cp
✔ ML-based property prediction for 25 pure compound properties

example_5