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:38
Name:m-Xylene
Description:
Labels:Validation
CAS:108-38-3
InChi Code:InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3

Properties

Tb: Boiling point [°C]

ValueSource or prediction
139.1

experimental value

134.8

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

Tf: Flash point [°C]

ValueSource or prediction
27

experimental value

27.5

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

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