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Developmentof molecular fingerprints based on electron density critical points: application to cytochrome P450 inhibition
Vercauteren, Daniel
(PI)
Burton, Julien
(Researcher)
Unit of theoretical and structural physico-chemistry
University of Namur
Project
:
PHD
Overview
Fingerprint
Research output
(3)
Student theses
(1)
Fingerprint
Explore the research topics touched on by this project. These labels are generated based on the underlying awards/grants. Together they form a unique fingerprint.
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Weight
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Engineering & Materials Science
Electronic density of states
100%
Cytochrome P-450 Enzyme System
95%
Functional groups
68%
Carrier concentration
51%
Molecules
35%
Drug Discovery
34%
Metabolism
33%
Decision trees
25%
Classifiers
18%
Set theory
16%
Chemical Compounds
Electron Density
70%
Cytochrome P450
55%
Organic Molecule
47%
Classifier
35%
Volume
29%
Drug
27%
Pharmacological Metabolism
20%
Molecule
9%
Medicine & Life Sciences
Cytochrome P-450 CYP1A2
67%
Cytochrome P-450 CYP2D6
65%
Decision Trees
32%
Dermatoglyphics
30%
Drug Discovery
26%
Computer Simulation
24%
Electrons
20%
Databases
15%
Pharmaceutical Preparations
10%