Use of multivariate methods in the analysis of calculated reaction pathways.

Bjørn K. Alsberg Vidar R. Jensen Knut J. Børve

Published in: J. Comput. Chem. (1996)

Keyphrases

preprocessing
neural network
artificial intelligence
statistical tests
empirical studies
cross validation
data sets
genetic algorithm
decision trees
image analysis
computational cost
benchmark datasets
machine learning methods
statistical methods
linear regression
qualitative and quantitative