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The atom assignment problem in automated de novo drug design. 5. Tests for envelope-directed fragment placement based on molecular similarity.
M. T. Barakat
P. M. Dean
Published in:
J. Comput. Aided Mol. Des. (1995)
Keyphrases
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drug design
quantitative structure activity
drug discovery
protein structure prediction
protein protein interactions
similarity measure
distance measure
mass spectrometry
databases
pairwise
statistical analysis
distance function