10967/158 - QDB Compounds

QsarDB Repository

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:54
Name:Biphenyl
Description:
Labels:Testing
CAS:92-52-4
InChi Code:InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H

Properties

Tb: Boiling point [°C]

ValueSource or prediction
255.3

experimental value

249.8

Tab7_Tb: RBF-NN model for diverse chemicals (Testing set)

Tf: Flash point [°C]

ValueSource or prediction
113

experimental value

105.7

Tab7_Tf: RBF-NN model for diverse chemicals (Testing set)

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