Molecular mechanics (MM3) parameterization for oxocarbenium ions.

Guyan Liang Jennifer B. Sorensen David Whitmire J. Phillip Bowen

Published in: J. Comput. Chem. (2000)

Keyphrases

rms error
average error
three dimensional
molecular structure
neural network
drug design
databases
machine learning
dna computing
genetic algorithm
computer vision
similarity measure
drug discovery
clinical setting
virtual screening