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:244
Name:Acetoanilide
Description:
Labels:Training
CAS:103-84-4
InChi Code:InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)

Properties

Tb: Boiling point [°C]

ValueSource or prediction
304

experimental value

304

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

Tf: Flash point [°C]

ValueSource or prediction
173

experimental value

173

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

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