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Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies.
Xavier Gironés
Lluís Amat
David Robert
Ramon Carbó-Dorca
Published in:
J. Comput. Aided Mol. Des. (2000)
Keyphrases
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van der waals
drug discovery
high energy
electron microscopy
electron beam
low energy
total energy
electron microscope
action recognition
electric field
drug design
empirical studies
object recognition
energy minimization
early stage
three dimensional
chemical compounds
dna computing
feature extraction