QSPR Using MOLGEN-QSPR: The Challenge of Fluoroalkane Boiling Points.

Christoph Rücker Markus Meringer Adalbert Kerber

Published in: J. Chem. Inf. Model. (2005)

Keyphrases

cascade correlation
drug discovery
point sets
data points
neural network
artificial intelligence
information systems
case study
artificial neural networks
back propagation
keypoints
endpoints
geometric constraints
chemical compounds