Assessment of theoretical methods for the calculation of methyl cation affinities.

Yin Wei T. Singer H. Mayr G. N. Sastry Hendrik Zipse

Published in: J. Comput. Chem. (2008)

Keyphrases

preprocessing
databases
neural network
high resolution
benchmark datasets
machine learning methods
computationally expensive
real time
computer vision
image segmentation
reinforcement learning
feature space
pairwise
significant improvement
computational cost
theoretical analysis