Halogenated Aliphatic Toxicity QSARs Employing Metabolite Descriptors.

Steven Trohalaki Ruth Pachter Kevin T. Geiss John M. Frazier

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

Keyphrases

random forest
nmr spectra
chemical compounds
keypoints
quantitative structure activity
image retrieval
shape descriptors
computational biology
computer aided
texture descriptors
drug discovery
rotationally invariant
feature extraction
machine learning
broad categories
data mining
neural network