Tetteh, J.; Suzuki, T.; Metcalfe, E.; Howells, S. Quantitative Structure-Property Relationships for the Estimation of Boiling Point and Flash Point Using a Radial Basis Function Neural Network. J. Chem. Inf. Model. 1999, 39, 491-507.
Compound
| ID: | 397 | |
|---|---|---|
| Name: | Anthraquinone | |
| Description: | ||
| Labels: | Training | |
| CAS: | 84-65-1 | |
| InChi Code: | InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 379.8 |
experimental value |
| 383.7 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 185 |
experimental value |
| 185.6 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3020095 | US EPA CompTox Dashboard |