A QSPR Model for the Prediction of the Gas-phase Free Energies of Activation of Rotation Around the N---C(O) Bond.

Jaan Leis Mati Karelson

Published in: Comput. Chem. (2001)

Keyphrases

prediction model
probabilistic model
statistical model
computational model
objective function
experimental data
management system
genetic algorithm
parameter estimation
models built
theoretical framework
energy function
prediction accuracy
theoretical analysis
feature vectors
similarity measure
high level