Automated Drawing of Structural Molecular Formulas under Constraints.

Patrick C. Fricker Marcus Gastreich Matthias Rarey

Published in: J. Chem. Inf. Model. (2004)

Keyphrases

structural information
structural constraints
constraint satisfaction
fully automated
database
real time
three dimensional
databases
neural network
clustering algorithm
constraint programming
global constraints
semi automated
linear constraints
molecular dynamics