Molecular Mechanics (MM3) Calculations on Azoxy Compounds.

Yi Fan Norman L. Allinger

Published in: J. Comput. Chem. (1994)

Keyphrases

drug discovery
molecular structure
chemical compounds
virtual screening
rms error
experimental data
scientific data
drug design
early stage
average error
clinical setting
database
quantum mechanics
surgical instruments
maximum error
dna computing
data mining tools
biological systems
data management
three dimensional